N-(3-acetylphenyl)-2-(propan-2-ylamino)pyridine-3-carboxamide

C17H19N3O2 — CID 84574743

IUPACN-(3-acetylphenyl)-2-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cccnc2NC(C)C)c1
InChIInChI=1S/C17H19N3O2/c1-11(2)19-16-15(8-5-9-18-16)17(22)20-14-7-4-6-13(10-14)12(3)21/h4-11H,1-3H3,(H,18,19)(H,20,22)
InChIKeyYMNAIQHQWOJITP-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.36
Rot. Bonds5

About N-(3-acetylphenyl)-2-(propan-2-ylamino)pyridine-3-carboxamide

N-(3-acetylphenyl)-2-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 84574743) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID84574743
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-(3-acetylphenyl)-2-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cccnc2NC(C)C)c1
InChIInChI=1S/C17H19N3O2/c1-11(2)19-16-15(8-5-9-18-16)17(22)20-14-7-4-6-13(10-14)12(3)21/h4-11H,1-3H3,(H,18,19)(H,20,22)
InChIKeyYMNAIQHQWOJITP-UHFFFAOYSA-N
XLogP3.36
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-acetylphenyl)-2-(propan-2-ylamino)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-[3-(hydroxymethyl)phenyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 75435675
N-naphthalen-2-yl-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 84574296
N-(3-acetylphenyl)-2-methylpyridine-3-carboxamide
CID 78950839
N-(4-hydroxyphenyl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 84574934
N-(1,3-benzodioxol-5-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 84574949
N-(3-acetylphenyl)-2-ethoxypyridine-3-carboxamide
CID 7959021
N-(1H-indazol-6-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 84574300
N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 167971466
N-(3-acetylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271495
N-(3-acetylphenyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31884754
N-(2-methylpyrazol-3-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 136529745
N-(3-acetylphenyl)-3-methoxypyridine-4-carboxamide
CID 105063564

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-(propan-2-ylamino)pyridine-3-carboxamide (CID 84574743) is N-(3-acetylphenyl)-2-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(propan-2-ylamino)pyridine-3-carboxamide is CC(=O)c1cccc(NC(=O)c2cccnc2NC(C)C)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is YMNAIQHQWOJITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11(2)19-16-15(8-5-9-18-16)17(22)20-14-7-4-6-13(10-14)12(3)21/h4-11H,1-3H3,(H,18,19)(H,20,22).
What are the key properties of N-(3-acetylphenyl)-2-(propan-2-ylamino)pyridine-3-carboxamide?
N-(3-acetylphenyl)-2-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 84574743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).