N-(2-hydroxy-2-methylpentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide

C13H20N2O3 — CID 103718353

IUPACN-(2-hydroxy-2-methylpentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCCC(C)(O)CNC(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C13H20N2O3/c1-4-5-13(3,18)8-15-12(17)10-7-14-9(2)6-11(10)16/h6-7,18H,4-5,8H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyJTWWXXCWODLQGC-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.96
Rot. Bonds5

About N-(2-hydroxy-2-methylpentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide

N-(2-hydroxy-2-methylpentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103718353) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103718353
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-(2-hydroxy-2-methylpentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCCC(C)(O)CNC(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C13H20N2O3/c1-4-5-13(3,18)8-15-12(17)10-7-14-9(2)6-11(10)16/h6-7,18H,4-5,8H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyJTWWXXCWODLQGC-UHFFFAOYSA-N
XLogP0.96
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(2-hydroxy-2-methylpentyl)-6-methyl-4-oxo-1H-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-(2,2-dimethylheptyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103747347
4-bromo-N-(2-hydroxy-2-methylpentyl)-1H-pyrrole-2-carboxamide
CID 103712976
N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
CID 113240365
N-(2-hydroxy-2-methylpentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103712960
5-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
CID 103842862
N-(2-aminoethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103804777
N-[(2R)-2-hydroxypropyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103884747
4-fluoro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113240357
N-(3-amino-2-hydroxy-3-oxopropyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 114152739
N-(2-hydroxy-2-methylpentyl)-2-methoxy-5-methylbenzamide
CID 103712986
N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 90091418
6-methyl-N-(3-methyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide
CID 104860774

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 103718353) is N-(2-hydroxy-2-methylpentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide is CCCC(C)(O)CNC(=O)c1c[nH]c(C)cc1=O.
What is the InChIKey of N-(2-hydroxy-2-methylpentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is JTWWXXCWODLQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-5-13(3,18)8-15-12(17)10-7-14-9(2)6-11(10)16/h6-7,18H,4-5,8H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N-(2-hydroxy-2-methylpentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-(2-hydroxy-2-methylpentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 252.31 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103718353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).