5-(4-acetylanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide

C22H21N3O2 — CID 109188694

IUPAC5-(4-acetylanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCC(=O)c1ccc(Nc2ccc(C(=O)NCc3ccc(C)cc3)nc2)cc1
InChIInChI=1S/C22H21N3O2/c1-15-3-5-17(6-4-15)13-24-22(27)21-12-11-20(14-23-21)25-19-9-7-18(8-10-19)16(2)26/h3-12,14,25H,13H2,1-2H3,(H,24,27)
InChIKeyUVHPPMZHWBOCFW-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.27
Rot. Bonds6

About 5-(4-acetylanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide

5-(4-acetylanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109188694) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-(4-acetylanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
PubChem CID109188694
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name5-(4-acetylanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCC(=O)c1ccc(Nc2ccc(C(=O)NCc3ccc(C)cc3)nc2)cc1
InChIInChI=1S/C22H21N3O2/c1-15-3-5-17(6-4-15)13-24-22(27)21-12-11-20(14-23-21)25-19-9-7-18(8-10-19)16(2)26/h3-12,14,25H,13H2,1-2H3,(H,24,27)
InChIKeyUVHPPMZHWBOCFW-UHFFFAOYSA-N
XLogP4.27
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109188702
5-(4-methylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188420
5-(2,5-dimethylanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188662
5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide
CID 109190050
5-(4-acetylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181147
5-anilino-N-benzylpyridine-2-carboxamide
CID 109187879
5-(4-acetylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190232
5-(4-acetamidoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191552
5-(4-methylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180319
N-(2-methoxyethyl)-5-(4-methylanilino)pyridine-2-carboxamide
CID 109183906
5-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188609
5-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191533

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-(4-acetylanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide (CID 109188694) is 5-(4-acetylanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-acetylanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(4-acetylanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide is CC(=O)c1ccc(Nc2ccc(C(=O)NCc3ccc(C)cc3)nc2)cc1.
What is the InChIKey of 5-(4-acetylanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is UVHPPMZHWBOCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-15-3-5-17(6-4-15)13-24-22(27)21-12-11-20(14-23-21)25-19-9-7-18(8-10-19)16(2)26/h3-12,14,25H,13H2,1-2H3,(H,24,27).
What are the key properties of 5-(4-acetylanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide?
5-(4-acetylanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109188694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).