1-benzyl-N-cyclopropyl-5-(2-methylbutanoyl)-6-oxopyridine-3-carboxamide

C21H24N2O3 — CID 156853231

IUPAC1-benzyl-N-cyclopropyl-5-(2-methylbutanoyl)-6-oxopyridine-3-carboxamide
SMILESCCC(C)C(=O)c1cc(C(=O)NC2CC2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C21H24N2O3/c1-3-14(2)19(24)18-11-16(20(25)22-17-9-10-17)13-23(21(18)26)12-15-7-5-4-6-8-15/h4-8,11,13-14,17H,3,9-10,12H2,1-2H3,(H,22,25)
InChIKeyFIDADJOIWQCULA-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.02
Rot. Bonds7

About 1-benzyl-N-cyclopropyl-5-(2-methylbutanoyl)-6-oxopyridine-3-carboxamide

1-benzyl-N-cyclopropyl-5-(2-methylbutanoyl)-6-oxopyridine-3-carboxamide (PubChem CID 156853231) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-benzyl-N-cyclopropyl-5-(2-methylbutanoyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-cyclopropyl-5-(2-methylbutanoyl)-6-oxopyridine-3-carboxamide
PubChem CID156853231
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-benzyl-N-cyclopropyl-5-(2-methylbutanoyl)-6-oxopyridine-3-carboxamide
SMILESCCC(C)C(=O)c1cc(C(=O)NC2CC2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C21H24N2O3/c1-3-14(2)19(24)18-11-16(20(25)22-17-9-10-17)13-23(21(18)26)12-15-7-5-4-6-8-15/h4-8,11,13-14,17H,3,9-10,12H2,1-2H3,(H,22,25)
InChIKeyFIDADJOIWQCULA-UHFFFAOYSA-N
XLogP3.02
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-N-cyclopropyl-5-(2-methylbutanoyl)-6-oxopyridine-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

1-benzyl-N-methyl-2-oxopyridine-3-carboxamide
CID 48157449
1-Benzyl-N5-cyclopropyl-N3-methyl-2-oxo-1,2-dihydropyridine-3,5-dicarboxamide
CID 126648559
5-N-cyclopropyl-3-N-methyl-2-oxo-1-[(1R)-1-phenylethyl]pyridine-3,5-dicarboxamide
CID 126676281
N-benzyl-1-(3-methylbutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 71660103
N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide
CID 2649390
2-butyl-N,N'-bis(1-phenylethyl)propanediamide
CID 4437021
3-acetamido-N-cyclohexyl-N-methyl-3-phenylpropanamide
CID 4786488
N-benzyl-1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide
CID 23588031
n3-(Cyclohexyl)-4-oxo-1-pentyl-6-phenyl-1,4-dihydropyridine-3-carboxamide
CID 49820013
n-(4-Oxo-1-pentyl-6-phenyl-1,4-dihydropyridin-3-yl)cyclohexanecarboxamide
CID 49840911
N-benzyl-1-butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 59718847
N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-2-oxo-1-(1-phenylethyl)-1,2-dihydropyridine-4-carboxamide
CID 71571201

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-cyclopropyl-5-(2-methylbutanoyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N-cyclopropyl-5-(2-methylbutanoyl)-6-oxopyridine-3-carboxamide (CID 156853231) is 1-benzyl-N-cyclopropyl-5-(2-methylbutanoyl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-cyclopropyl-5-(2-methylbutanoyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-cyclopropyl-5-(2-methylbutanoyl)-6-oxopyridine-3-carboxamide is CCC(C)C(=O)c1cc(C(=O)NC2CC2)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-N-cyclopropyl-5-(2-methylbutanoyl)-6-oxopyridine-3-carboxamide?
The InChIKey is FIDADJOIWQCULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-14(2)19(24)18-11-16(20(25)22-17-9-10-17)13-23(21(18)26)12-15-7-5-4-6-8-15/h4-8,11,13-14,17H,3,9-10,12H2,1-2H3,(H,22,25).
What are the key properties of 1-benzyl-N-cyclopropyl-5-(2-methylbutanoyl)-6-oxopyridine-3-carboxamide?
1-benzyl-N-cyclopropyl-5-(2-methylbutanoyl)-6-oxopyridine-3-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-cyclopropyl-5-(2-methylbutanoyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 156853231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).