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

C12H16N2O3 — CID 104860744

IUPAC1-methyl-N-(3-methyl-2-oxobutyl)-2-oxopyridine-4-carboxamide
SMILESCC(C)C(=O)CNC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C12H16N2O3/c1-8(2)10(15)7-13-12(17)9-4-5-14(3)11(16)6-9/h4-6,8H,7H2,1-3H3,(H,13,17)
InChIKeyRYLIOEDFZVGZGJ-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.34
Rot. Bonds4

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

1-methyl-N-(3-methyl-2-oxobutyl)-2-oxopyridine-4-carboxamide (PubChem CID 104860744) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-methyl-N-(3-methyl-2-oxobutyl)-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-methyl-2-oxobutyl)-2-oxopyridine-4-carboxamide
PubChem CID104860744
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name1-methyl-N-(3-methyl-2-oxobutyl)-2-oxopyridine-4-carboxamide
SMILESCC(C)C(=O)CNC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C12H16N2O3/c1-8(2)10(15)7-13-12(17)9-4-5-14(3)11(16)6-9/h4-6,8H,7H2,1-3H3,(H,13,17)
InChIKeyRYLIOEDFZVGZGJ-UHFFFAOYSA-N
XLogP0.34
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide
CID 35556772
N-(2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 113232055
N-but-3-yn-2-yl-1-methyl-2-oxopyridine-4-carboxamide
CID 104919690
N-butyl-1-methyl-2-oxopyridine-4-carboxamide
CID 35555679
N-(1,3-dihydroxypropan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide
CID 65314932
N-[2-(dimethylcarbamoylamino)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103895646
3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]pentanoic acid
CID 81065047
N-(2-ethyl-2-methylsulfanylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103709300
1-methyl-N-(2-methyl-2-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide
CID 103713487
N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 104857762
N-(4-bromo-2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 114039929
1-methyl-2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-4-carboxamide
CID 55574430

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methyl-2-oxobutyl)-2-oxopyridine-4-carboxamide?
The IUPAC name of 1-methyl-N-(3-methyl-2-oxobutyl)-2-oxopyridine-4-carboxamide (CID 104860744) is 1-methyl-N-(3-methyl-2-oxobutyl)-2-oxopyridine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-methyl-2-oxobutyl)-2-oxopyridine-4-carboxamide?
The canonical SMILES for 1-methyl-N-(3-methyl-2-oxobutyl)-2-oxopyridine-4-carboxamide is CC(C)C(=O)CNC(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of 1-methyl-N-(3-methyl-2-oxobutyl)-2-oxopyridine-4-carboxamide?
The InChIKey is RYLIOEDFZVGZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8(2)10(15)7-13-12(17)9-4-5-14(3)11(16)6-9/h4-6,8H,7H2,1-3H3,(H,13,17).
What are the key properties of 1-methyl-N-(3-methyl-2-oxobutyl)-2-oxopyridine-4-carboxamide?
1-methyl-N-(3-methyl-2-oxobutyl)-2-oxopyridine-4-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methyl-2-oxobutyl)-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 104860744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).