1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide

C12H18N2O2 — CID 35556772

IUPAC1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide
SMILESCC(C)CCNC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C12H18N2O2/c1-9(2)4-6-13-12(16)10-5-7-14(3)11(15)8-10/h5,7-9H,4,6H2,1-3H3,(H,13,16)
InChIKeyYCCUCFXLGWDFNS-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.16
Rot. Bonds4

About 1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide

1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide (PubChem CID 35556772) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide
PubChem CID35556772
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide
SMILESCC(C)CCNC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C12H18N2O2/c1-9(2)4-6-13-12(16)10-5-7-14(3)11(15)8-10/h5,7-9H,4,6H2,1-3H3,(H,13,16)
InChIKeyYCCUCFXLGWDFNS-UHFFFAOYSA-N
XLogP1.16
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-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-butyl-1-methyl-2-oxopyridine-4-carboxamide
CID 35555679
1-methyl-N-(3-methyl-2-oxobutyl)-2-oxopyridine-4-carboxamide
CID 104860744
N-[2-(dimethylcarbamoylamino)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103895646
N-[2-(2,2-difluoroethoxy)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103082580
N-[2-[ethyl(propyl)amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103719329
N-(4-bromo-2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 114039929
N-[2-(furan-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 113221314
3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]pentanoic acid
CID 81065047
2-[2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375242
N-[2-(2-chloroethyl)pentyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 106117560
N-[2-(2-fluorophenoxy)propyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 71994313
N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 104857762

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide?
The IUPAC name of 1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide (CID 35556772) is 1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide?
The canonical SMILES for 1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide is CC(C)CCNC(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of 1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide?
The InChIKey is YCCUCFXLGWDFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(2)4-6-13-12(16)10-5-7-14(3)11(15)8-10/h5,7-9H,4,6H2,1-3H3,(H,13,16).
What are the key properties of 1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide?
1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 35556772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).