4RV

4-amino-8-(4-methylpyridin-3-yl)cinnoline-3-carboxamide

Created:	2015-05-15
Last modified:	2015-07-01

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1 entries where 4RV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	17

2D diagram of 4RV

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Chemical Component Summary
Name	4-amino-8-(4-methylpyridin-3-yl)cinnoline-3-carboxamide
Systematic Name (OpenEye OEToolkits)	4-azanyl-8-(4-methylpyridin-3-yl)cinnoline-3-carboxamide
Formula	C₁₅ H₁₃ N₅ O
Molecular Weight	279.297
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c3ncc(c2c1c(c(N)c(C(=O)N)nn1)ccc2)c(C)c3
SMILES	CACTVS	3.385	Cc1ccncc1c2cccc3c(N)c(nnc23)C(N)=O
SMILES	OpenEye OEToolkits	1.9.2	Cc1ccncc1c2cccc3c2nnc(c3N)C(=O)N
Canonical SMILES	CACTVS	3.385	Cc1ccncc1c2cccc3c(N)c(nnc23)C(N)=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	Cc1ccncc1c2cccc3c2nnc(c3N)C(=O)N
InChI	InChI	1.03	InChI=1S/C15H13N5O/c1-8-5-6-18-7-11(8)9-3-2-4-10-12(16)14(15(17)21)20-19-13(9)10/h2-7H,1H3,(H2,16,19)(H2,17,21)
InChIKey	InChI	1.03	YHEHDRMGAHEUOQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	91809511
ChEMBL	CHEMBL3586444

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