N-(2-cyanophenyl)-5-(2-methylanilino)pyridine-3-carboxamide

C20H16N4O — CID 109241817

IUPACN-(2-cyanophenyl)-5-(2-methylanilino)pyridine-3-carboxamide
SMILESCc1ccccc1Nc1cncc(C(=O)Nc2ccccc2C#N)c1
InChIInChI=1S/C20H16N4O/c1-14-6-2-4-8-18(14)23-17-10-16(12-22-13-17)20(25)24-19-9-5-3-7-15(19)11-21/h2-10,12-13,23H,1H3,(H,24,25)
InChIKeyQMJBKCOJIAHCEB-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.26
Rot. Bonds4

About N-(2-cyanophenyl)-5-(2-methylanilino)pyridine-3-carboxamide

N-(2-cyanophenyl)-5-(2-methylanilino)pyridine-3-carboxamide (PubChem CID 109241817) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-(2-cyanophenyl)-5-(2-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-5-(2-methylanilino)pyridine-3-carboxamide
PubChem CID109241817
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC NameN-(2-cyanophenyl)-5-(2-methylanilino)pyridine-3-carboxamide
SMILESCc1ccccc1Nc1cncc(C(=O)Nc2ccccc2C#N)c1
InChIInChI=1S/C20H16N4O/c1-14-6-2-4-8-18(14)23-17-10-16(12-22-13-17)20(25)24-19-9-5-3-7-15(19)11-21/h2-10,12-13,23H,1H3,(H,24,25)
InChIKeyQMJBKCOJIAHCEB-UHFFFAOYSA-N
XLogP4.26
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
CID 109243164
5-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242712
N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyridine-3-carboxamide
CID 109245887
N-(2-cyanophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109245547
N-(2-cyanophenyl)-5-(3,5-dichloroanilino)pyridine-3-carboxamide
CID 109246343
5-(2,3-dimethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109241651
5-(2-cyanoanilino)-N-(2,6-diethylphenyl)pyridine-3-carboxamide
CID 109243961
N-(3-acetamidophenyl)-5-(2-methylanilino)pyridine-3-carboxamide
CID 109241783
5-(2-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109241821
N-(2-cyanophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232741
N-tert-butyl-5-(2-methylanilino)pyridine-3-carboxamide
CID 109239269
5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109241732

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-5-(2-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-5-(2-methylanilino)pyridine-3-carboxamide (CID 109241817) is N-(2-cyanophenyl)-5-(2-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-5-(2-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-5-(2-methylanilino)pyridine-3-carboxamide is Cc1ccccc1Nc1cncc(C(=O)Nc2ccccc2C#N)c1.
What is the InChIKey of N-(2-cyanophenyl)-5-(2-methylanilino)pyridine-3-carboxamide?
The InChIKey is QMJBKCOJIAHCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-14-6-2-4-8-18(14)23-17-10-16(12-22-13-17)20(25)24-19-9-5-3-7-15(19)11-21/h2-10,12-13,23H,1H3,(H,24,25).
What are the key properties of N-(2-cyanophenyl)-5-(2-methylanilino)pyridine-3-carboxamide?
N-(2-cyanophenyl)-5-(2-methylanilino)pyridine-3-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-5-(2-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109241817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).