2-anilino-N-(4-methylphenyl)pyridine-3-carboxamide

C19H17N3O — CID 23632392

IUPAC2-anilino-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccnc2Nc2ccccc2)cc1
InChIInChI=1S/C19H17N3O/c1-14-9-11-16(12-10-14)22-19(23)17-8-5-13-20-18(17)21-15-6-3-2-4-7-15/h2-13H,1H3,(H,20,21)(H,22,23)
InChIKeyWOKJVPXISCNIAH-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.39
Rot. Bonds4

About 2-anilino-N-(4-methylphenyl)pyridine-3-carboxamide

2-anilino-N-(4-methylphenyl)pyridine-3-carboxamide (PubChem CID 23632392) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-anilino-N-(4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-anilino-N-(4-methylphenyl)pyridine-3-carboxamide
PubChem CID23632392
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name2-anilino-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccnc2Nc2ccccc2)cc1
InChIInChI=1S/C19H17N3O/c1-14-9-11-16(12-10-14)22-19(23)17-8-5-13-20-18(17)21-15-6-3-2-4-7-15/h2-13H,1H3,(H,20,21)(H,22,23)
InChIKeyWOKJVPXISCNIAH-UHFFFAOYSA-N
XLogP4.39
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-anilino-N-(4-methylphenyl)pyridine-3-carboxamide (CID 23632392) is 2-anilino-N-(4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-anilino-N-(4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-anilino-N-(4-methylphenyl)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cccnc2Nc2ccccc2)cc1.
What is the InChIKey of 2-anilino-N-(4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is WOKJVPXISCNIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-14-9-11-16(12-10-14)22-19(23)17-8-5-13-20-18(17)21-15-6-3-2-4-7-15/h2-13H,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-anilino-N-(4-methylphenyl)pyridine-3-carboxamide?
2-anilino-N-(4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 23632392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).