4-(2-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide

C21H18N4O2 — CID 109221872

IUPAC4-(2-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(Nc2ccccc2C#N)ccn1
InChIInChI=1S/C21H18N4O2/c1-14-7-8-20(27-2)18(11-14)25-21(26)19-12-16(9-10-23-19)24-17-6-4-3-5-15(17)13-22/h3-12H,1-2H3,(H,23,24)(H,25,26)
InChIKeyWELBOFXPRNVVOE-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.27
Rot. Bonds5

About 4-(2-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide

4-(2-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide (PubChem CID 109221872) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 4-(2-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
PubChem CID109221872
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name4-(2-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(Nc2ccccc2C#N)ccn1
InChIInChI=1S/C21H18N4O2/c1-14-7-8-20(27-2)18(11-14)25-21(26)19-12-16(9-10-23-19)24-17-6-4-3-5-15(17)13-22/h3-12H,1-2H3,(H,23,24)(H,25,26)
InChIKeyWELBOFXPRNVVOE-UHFFFAOYSA-N
XLogP4.27
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-cyanoanilino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109219824
N-(2-cyanophenyl)-4-(2,5-dimethoxyanilino)pyridine-2-carboxamide
CID 109221984
4-(2-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109222697
4-(2-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219127
N-(2-methoxy-5-methylphenyl)-4-(3-methylanilino)pyridine-2-carboxamide
CID 109219162
4-(2-cyanoanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109219956
4-(5-chloro-2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221419
N-(2,4-dimethylphenyl)-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109219739
4-(4-acetamidoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221861
4-(3-chloro-4-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221381
N-(2-cyanophenyl)-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide
CID 109129563
N-(4-chloro-2-methylphenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide
CID 109221213

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(2-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide (CID 109221872) is 4-(2-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(2-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide is COc1ccc(C)cc1NC(=O)c1cc(Nc2ccccc2C#N)ccn1.
What is the InChIKey of 4-(2-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide?
The InChIKey is WELBOFXPRNVVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14-7-8-20(27-2)18(11-14)25-21(26)19-12-16(9-10-23-19)24-17-6-4-3-5-15(17)13-22/h3-12H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 4-(2-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide?
4-(2-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109221872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).