NP8

5-(5-methoxypyridin-3-yl)-3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one

Created:	2015-06-20
Last modified:	2015-07-22

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2 entries where NP8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	0
Bond Count	53
Aromatic Bond Count	12

2D diagram of NP8

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Chemical Component Summary
Name	5-(5-methoxypyridin-3-yl)-3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one
Systematic Name (OpenEye OEToolkits)	5-(5-methoxypyridin-3-yl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one
Formula	C₂₀ H₂₃ N₅ O₂
Molecular Weight	365.429
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1cncc(c1)c2cnc(NC3CCNCC3)c4NC(=O)C(=Cc24)C
SMILES	OpenEye OEToolkits	1.7.6	CC1=Cc2c(cnc(c2NC1=O)NC3CCNCC3)c4cc(cnc4)OC
Canonical SMILES	CACTVS	3.385	COc1cncc(c1)c2cnc(NC3CCNCC3)c4NC(=O)C(=Cc24)C
Canonical SMILES	OpenEye OEToolkits	1.7.6	CC1=Cc2c(cnc(c2NC1=O)NC3CCNCC3)c4cc(cnc4)OC
InChI	InChI	1.03	InChI=1S/C20H23N5O2/c1-12-7-16-17(13-8-15(27-2)10-22-9-13)11-23-19(18(16)25-20(12)26)24-14-3-5-21-6-4-14/h7-11,14,21H,3-6H2,1-2H3,(H,23,24)(H,25,26)
InChIKey	InChI	1.03	FPQQERRFPULCIK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	91820725
ChEMBL	CHEMBL3585455

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.