9EI

5-amino-N-(naphthalen-1-yl)pyridine-3-carboxamide

Created:	2021-10-08
Last modified:	2021-10-20

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1 entries where 9EI is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	17

2D diagram of 9EI

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Chemical Component Summary
Name	5-amino-N-(naphthalen-1-yl)pyridine-3-carboxamide
Systematic Name (OpenEye OEToolkits)	5-azanyl-~{N}-naphthalen-1-yl-pyridine-3-carboxamide
Formula	C₁₆ H₁₃ N₃ O
Molecular Weight	263.294
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1cccc2ccccc21)c1cncc(N)c1
SMILES	CACTVS	3.385	Nc1cncc(c1)C(=O)Nc2cccc3ccccc23
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)cccc2NC(=O)c3cc(cnc3)N
Canonical SMILES	CACTVS	3.385	Nc1cncc(c1)C(=O)Nc2cccc3ccccc23
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)cccc2NC(=O)c3cc(cnc3)N
InChI	InChI	1.03	InChI=1S/C16H13N3O/c17-13-8-12(9-18-10-13)16(20)19-15-7-3-5-11-4-1-2-6-14(11)15/h1-10H,17H2,(H,19,20)
InChIKey	InChI	1.03	GCOPBALHEUXTEM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	110488479

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