4-(3-acetamidoanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide

C22H22N4O2 — CID 109210484

IUPAC4-(3-acetamidoanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ccnc(C(=O)NCc3ccc(C)cc3)c2)c1
InChIInChI=1S/C22H22N4O2/c1-15-6-8-17(9-7-15)14-24-22(28)21-13-20(10-11-23-21)26-19-5-3-4-18(12-19)25-16(2)27/h3-13H,14H2,1-2H3,(H,23,26)(H,24,28)(H,25,27)
InChIKeyKGKKRXZXOZNVRV-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.02
Rot. Bonds6

About 4-(3-acetamidoanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide

4-(3-acetamidoanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109210484) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-(3-acetamidoanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-acetamidoanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
PubChem CID109210484
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name4-(3-acetamidoanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ccnc(C(=O)NCc3ccc(C)cc3)c2)c1
InChIInChI=1S/C22H22N4O2/c1-15-6-8-17(9-7-15)14-24-22(28)21-13-20(10-11-23-21)26-19-5-3-4-18(12-19)25-16(2)27/h3-13H,14H2,1-2H3,(H,23,26)(H,24,28)(H,25,27)
InChIKeyKGKKRXZXOZNVRV-UHFFFAOYSA-N
XLogP4.02
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(3-acetamidoanilino)-N-[(4-methylphenyl)methyl]pyridine-2-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

4-(4-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211464
4-(3-acetylanilino)-N-benzylpyridine-2-carboxamide
CID 109209720
4-(3-acetamidoanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213605
N-benzyl-4-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109209680
N-[(4-methylphenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109210497
4-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207839
2-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305715
4-(3-chloro-4-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210465
N-(3-acetamidophenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109211921
2-N-(3-chlorophenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085894
4-(3-acetamidoanilino)-N,N-diethylpyridine-2-carboxamide
CID 109216443
4-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212227

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetamidoanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(3-acetamidoanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide (CID 109210484) is 4-(3-acetamidoanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-acetamidoanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(3-acetamidoanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide is CC(=O)Nc1cccc(Nc2ccnc(C(=O)NCc3ccc(C)cc3)c2)c1.
What is the InChIKey of 4-(3-acetamidoanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is KGKKRXZXOZNVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-15-6-8-17(9-7-15)14-24-22(28)21-13-20(10-11-23-21)26-19-5-3-4-18(12-19)25-16(2)27/h3-13H,14H2,1-2H3,(H,23,26)(H,24,28)(H,25,27).
What are the key properties of 4-(3-acetamidoanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide?
4-(3-acetamidoanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetamidoanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109210484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).