N-[5-(3-acetylanilino)-2-pyridinyl]-3-methylbenzamide

C21H19N3O2 — CID 113034958

IUPACN-[5-(3-acetylanilino)-2-pyridinyl]-3-methylbenzamide
SMILESCC(=O)c1cccc(Nc2ccc(NC(=O)c3cccc(C)c3)nc2)c1
InChIInChI=1S/C21H19N3O2/c1-14-5-3-7-17(11-14)21(26)24-20-10-9-19(13-22-20)23-18-8-4-6-16(12-18)15(2)25/h3-13,23H,1-2H3,(H,22,24,26)
InChIKeyTVWQYDAFCWJHCC-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.59
Rot. Bonds5

About N-[5-(3-acetylanilino)-2-pyridinyl]-3-methylbenzamide

N-[5-(3-acetylanilino)-2-pyridinyl]-3-methylbenzamide (PubChem CID 113034958) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[5-(3-acetylanilino)-2-pyridinyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[5-(3-acetylanilino)-2-pyridinyl]-3-methylbenzamide
PubChem CID113034958
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-[5-(3-acetylanilino)-2-pyridinyl]-3-methylbenzamide
SMILESCC(=O)c1cccc(Nc2ccc(NC(=O)c3cccc(C)c3)nc2)c1
InChIInChI=1S/C21H19N3O2/c1-14-5-3-7-17(11-14)21(26)24-20-10-9-19(13-22-20)23-18-8-4-6-16(12-18)15(2)25/h3-13,23H,1-2H3,(H,22,24,26)
InChIKeyTVWQYDAFCWJHCC-UHFFFAOYSA-N
XLogP4.59
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-(3-acetylanilino)-2-pyridinyl]-3-methylbenzamide 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

3-methyl-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
CID 113031421
N-[5-(3-acetylanilino)-2-pyridinyl]-4-chlorobenzamide
CID 113034983
N-[5-(3-methylanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113031450
4-fluoro-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
CID 113031425
N-[5-(3-acetamidoanilino)-2-pyridinyl]benzamide
CID 113035126
N-[5-(3-acetamidoanilino)-2-pyridinyl]-3-chlorobenzamide
CID 113035147
ethyl 4-[[6-[(3-methylbenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113036371
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
N-[6-(3-acetylanilino)-3-pyridinyl]-3-fluorobenzamide
CID 113020314
3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide
CID 113035868
N-[5-(3-acetamidoanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113035132
N-[5-(butylamino)-2-pyridinyl]-3-methylbenzamide
CID 113023966

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-acetylanilino)-2-pyridinyl]-3-methylbenzamide?
The IUPAC name of N-[5-(3-acetylanilino)-2-pyridinyl]-3-methylbenzamide (CID 113034958) is N-[5-(3-acetylanilino)-2-pyridinyl]-3-methylbenzamide.
What is the SMILES notation for N-[5-(3-acetylanilino)-2-pyridinyl]-3-methylbenzamide?
The canonical SMILES for N-[5-(3-acetylanilino)-2-pyridinyl]-3-methylbenzamide is CC(=O)c1cccc(Nc2ccc(NC(=O)c3cccc(C)c3)nc2)c1.
What is the InChIKey of N-[5-(3-acetylanilino)-2-pyridinyl]-3-methylbenzamide?
The InChIKey is TVWQYDAFCWJHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-14-5-3-7-17(11-14)21(26)24-20-10-9-19(13-22-20)23-18-8-4-6-16(12-18)15(2)25/h3-13,23H,1-2H3,(H,22,24,26).
What are the key properties of N-[5-(3-acetylanilino)-2-pyridinyl]-3-methylbenzamide?
N-[5-(3-acetylanilino)-2-pyridinyl]-3-methylbenzamide has a molecular weight of 345.40 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-acetylanilino)-2-pyridinyl]-3-methylbenzamide is sourced from PubChem (CID 113034958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).