6XC

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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1 entries where 6XC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	6

2D diagram of 6XC

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Chemical Component Summary
Name	3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one
Systematic Name (OpenEye OEToolkits)	3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one
Formula	C₁₄ H₁₈ N₄ O
Molecular Weight	258.319
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC1=Cc2ccnc(NC3CCNCC3)c2NC1=O
SMILES	OpenEye OEToolkits	1.7.6	CC1=Cc2ccnc(c2NC1=O)NC3CCNCC3
Canonical SMILES	CACTVS	3.385	CC1=Cc2ccnc(NC3CCNCC3)c2NC1=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CC1=Cc2ccnc(c2NC1=O)NC3CCNCC3
InChI	InChI	1.03	InChI=1S/C14H18N4O/c1-9-8-10-2-7-16-13(12(10)18-14(9)19)17-11-3-5-15-6-4-11/h2,7-8,11,15H,3-6H2,1H3,(H,16,17)(H,18,19)
InChIKey	InChI	1.03	WPUMQOWFWIAZCU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	91820724
ChEMBL	CHEMBL3586700

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.