5-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide

C19H15N5O — CID 109235050

IUPAC5-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESN#Cc1ccccc1Nc1cncc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C19H15N5O/c20-10-14-5-1-2-7-18(14)24-17-9-15(11-21-12-17)19(25)23-13-16-6-3-4-8-22-16/h1-9,11-12,24H,13H2,(H,23,25)
InChIKeyVUHGNCBYBUFZQN-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.02
Rot. Bonds5

About 5-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide

5-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 109235050) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 5-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
PubChem CID109235050
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name5-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESN#Cc1ccccc1Nc1cncc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C19H15N5O/c20-10-14-5-1-2-7-18(14)24-17-9-15(11-21-12-17)19(25)23-13-16-6-3-4-8-22-16/h1-9,11-12,24H,13H2,(H,23,25)
InChIKeyVUHGNCBYBUFZQN-UHFFFAOYSA-N
XLogP3.02
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-anilino-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234957
5-(4-methoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234998
2-N-(2-cyanophenyl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087198
methyl 4-[[5-(pyridin-2-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109235016
5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109235057
N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyridine-3-carboxamide
CID 109245887
5-(2-cyanoanilino)-N-cyclopropylpyridine-3-carboxamide
CID 109223742
5-(2-methoxyethylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109227845
5-(4-bromo-3-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109235030
5-N-(2-fluorophenyl)-3-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105942
5-[(4-chlorophenyl)methylamino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234070
5-(2-cyanoanilino)-N-(2,6-diethylphenyl)pyridine-3-carboxamide
CID 109243961

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide (CID 109235050) is 5-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide is N#Cc1ccccc1Nc1cncc(C(=O)NCc2ccccn2)c1.
What is the InChIKey of 5-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is VUHGNCBYBUFZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c20-10-14-5-1-2-7-18(14)24-17-9-15(11-21-12-17)19(25)23-13-16-6-3-4-8-22-16/h1-9,11-12,24H,13H2,(H,23,25).
What are the key properties of 5-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
5-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109235050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).