N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methylpyridine-3-carboxamide

C17H25N3O2 — CID 138999191

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methylpyridine-3-carboxamide
SMILESCCN(CC(=O)N1CCCCCC1)C(=O)c1ccc(C)nc1
InChIInChI=1S/C17H25N3O2/c1-3-19(17(22)15-9-8-14(2)18-12-15)13-16(21)20-10-6-4-5-7-11-20/h8-9,12H,3-7,10-11,13H2,1-2H3
InChIKeyLGBUXQYJHYSYBH-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.25
Rot. Bonds4

About N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methylpyridine-3-carboxamide

N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methylpyridine-3-carboxamide (PubChem CID 138999191) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methylpyridine-3-carboxamide
PubChem CID138999191
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methylpyridine-3-carboxamide
SMILESCCN(CC(=O)N1CCCCCC1)C(=O)c1ccc(C)nc1
InChIInChI=1S/C17H25N3O2/c1-3-19(17(22)15-9-8-14(2)18-12-15)13-16(21)20-10-6-4-5-7-11-20/h8-9,12H,3-7,10-11,13H2,1-2H3
InChIKeyLGBUXQYJHYSYBH-UHFFFAOYSA-N
XLogP2.25
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methylpyridine-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

methyl 2-[ethyl-(6-methylpyridine-3-carbonyl)amino]acetate
CID 54979638
N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-2-methyl-1,3-benzothiazole-6-carboxamide
CID 126798041
N-(2-chloroethyl)-N-ethyl-6-methylpyridine-3-carboxamide
CID 63395365
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-6-methylpyridine-3-carboxamide
CID 76929152
6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 86934182
N-ethyl-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide
CID 7397043
methyl 2-[(2-methoxy-2-oxoethyl)-(6-methylpyridine-3-carbonyl)amino]acetate
CID 62952960
6-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 63979533
3-[ethyl-(6-methylpyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 62826642
2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 51082370
4-[2-(azepan-1-yl)-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 50777137
N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyridine-3-carboxamide
CID 51105924

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methylpyridine-3-carboxamide (CID 138999191) is N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methylpyridine-3-carboxamide is CCN(CC(=O)N1CCCCCC1)C(=O)c1ccc(C)nc1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methylpyridine-3-carboxamide?
The InChIKey is LGBUXQYJHYSYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-19(17(22)15-9-8-14(2)18-12-15)13-16(21)20-10-6-4-5-7-11-20/h8-9,12H,3-7,10-11,13H2,1-2H3.
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methylpyridine-3-carboxamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methylpyridine-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 138999191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).