N-[6-(4-acetylanilino)-3-pyridinyl]-2-methylbenzamide

C21H19N3O2 — CID 113020395

IUPACN-[6-(4-acetylanilino)-3-pyridinyl]-2-methylbenzamide
SMILESCC(=O)c1ccc(Nc2ccc(NC(=O)c3ccccc3C)cn2)cc1
InChIInChI=1S/C21H19N3O2/c1-14-5-3-4-6-19(14)21(26)24-18-11-12-20(22-13-18)23-17-9-7-16(8-10-17)15(2)25/h3-13H,1-2H3,(H,22,23)(H,24,26)
InChIKeySXKSLPLXRZQIPK-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.59
Rot. Bonds5

About N-[6-(4-acetylanilino)-3-pyridinyl]-2-methylbenzamide

N-[6-(4-acetylanilino)-3-pyridinyl]-2-methylbenzamide (PubChem CID 113020395) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[6-(4-acetylanilino)-3-pyridinyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[6-(4-acetylanilino)-3-pyridinyl]-2-methylbenzamide
PubChem CID113020395
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-[6-(4-acetylanilino)-3-pyridinyl]-2-methylbenzamide
SMILESCC(=O)c1ccc(Nc2ccc(NC(=O)c3ccccc3C)cn2)cc1
InChIInChI=1S/C21H19N3O2/c1-14-5-3-4-6-19(14)21(26)24-18-11-12-20(22-13-18)23-17-9-7-16(8-10-17)15(2)25/h3-13H,1-2H3,(H,22,23)(H,24,26)
InChIKeySXKSLPLXRZQIPK-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-[6-(4-acetylanilino)-3-pyridinyl]-2-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

N-[6-(4-bromoanilino)-3-pyridinyl]-2-methylbenzamide
CID 113019208
N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113020400
2-methyl-N-[5-(4-methylanilino)-2-pyridinyl]benzamide
CID 113031534
N-[6-(4-acetylanilino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113020429
4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016330
N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-chlorobenzamide
CID 113020563
N-[6-(3-acetylanilino)-3-pyridinyl]-2-chlorobenzamide
CID 113020334
6-(4-acetylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109162705
2-methoxy-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016337
N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113020547
N-(6-anilino-3-pyridinyl)-2-hydroxybenzamide
CID 110176412
N-[6-(3-acetylanilino)-3-pyridinyl]-2-methoxybenzamide
CID 113020316

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-acetylanilino)-3-pyridinyl]-2-methylbenzamide?
The IUPAC name of N-[6-(4-acetylanilino)-3-pyridinyl]-2-methylbenzamide (CID 113020395) is N-[6-(4-acetylanilino)-3-pyridinyl]-2-methylbenzamide.
What is the SMILES notation for N-[6-(4-acetylanilino)-3-pyridinyl]-2-methylbenzamide?
The canonical SMILES for N-[6-(4-acetylanilino)-3-pyridinyl]-2-methylbenzamide is CC(=O)c1ccc(Nc2ccc(NC(=O)c3ccccc3C)cn2)cc1.
What is the InChIKey of N-[6-(4-acetylanilino)-3-pyridinyl]-2-methylbenzamide?
The InChIKey is SXKSLPLXRZQIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-14-5-3-4-6-19(14)21(26)24-18-11-12-20(22-13-18)23-17-9-7-16(8-10-17)15(2)25/h3-13H,1-2H3,(H,22,23)(H,24,26).
What are the key properties of N-[6-(4-acetylanilino)-3-pyridinyl]-2-methylbenzamide?
N-[6-(4-acetylanilino)-3-pyridinyl]-2-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-[6-(4-acetylanilino)-3-pyridinyl]-2-methylbenzamide is sourced from PubChem (CID 113020395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).