N-(4-acetylphenyl)-5-(2,4-dimethylanilino)pyridine-3-carboxamide

C22H21N3O2 — CID 109242751

IUPACN-(4-acetylphenyl)-5-(2,4-dimethylanilino)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cncc(Nc3ccc(C)cc3C)c2)cc1
InChIInChI=1S/C22H21N3O2/c1-14-4-9-21(15(2)10-14)24-20-11-18(12-23-13-20)22(27)25-19-7-5-17(6-8-19)16(3)26/h4-13,24H,1-3H3,(H,25,27)
InChIKeyQPZCJMXASSIURK-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.90
Rot. Bonds5

About N-(4-acetylphenyl)-5-(2,4-dimethylanilino)pyridine-3-carboxamide

N-(4-acetylphenyl)-5-(2,4-dimethylanilino)pyridine-3-carboxamide (PubChem CID 109242751) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-(2,4-dimethylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-(2,4-dimethylanilino)pyridine-3-carboxamide
PubChem CID109242751
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-(4-acetylphenyl)-5-(2,4-dimethylanilino)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cncc(Nc3ccc(C)cc3C)c2)cc1
InChIInChI=1S/C22H21N3O2/c1-14-4-9-21(15(2)10-14)24-20-11-18(12-23-13-20)22(27)25-19-7-5-17(6-8-19)16(3)26/h4-13,24H,1-3H3,(H,25,27)
InChIKeyQPZCJMXASSIURK-UHFFFAOYSA-N
XLogP4.90
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-acetylphenyl)-5-(2,4-dimethylanilino)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetamidophenyl)-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109242868
5-(2,5-dimethylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242013
5-N-(2,4-dimethylphenyl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107985
N-(4-acetylphenyl)-5-(2,6-dimethylanilino)pyridine-3-carboxamide
CID 109243199
N-(4-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide
CID 20960008
5-(4-acetylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241874
N-(2,4-difluorophenyl)-5-(2,4-dimethylanilino)pyridine-3-carboxamide
CID 109242767
5-(2,4-dimethylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109242737
N-(2,4-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109242670
5-(4-acetamidoanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109242811
5-(2,4-difluoroanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242709
N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109243797

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-5-(2,4-dimethylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-5-(2,4-dimethylanilino)pyridine-3-carboxamide (CID 109242751) is N-(4-acetylphenyl)-5-(2,4-dimethylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-(2,4-dimethylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-5-(2,4-dimethylanilino)pyridine-3-carboxamide is CC(=O)c1ccc(NC(=O)c2cncc(Nc3ccc(C)cc3C)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-5-(2,4-dimethylanilino)pyridine-3-carboxamide?
The InChIKey is QPZCJMXASSIURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-14-4-9-21(15(2)10-14)24-20-11-18(12-23-13-20)22(27)25-19-7-5-17(6-8-19)16(3)26/h4-13,24H,1-3H3,(H,25,27).
What are the key properties of N-(4-acetylphenyl)-5-(2,4-dimethylanilino)pyridine-3-carboxamide?
N-(4-acetylphenyl)-5-(2,4-dimethylanilino)pyridine-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-5-(2,4-dimethylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109242751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).