N-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-1H-pyridine-3-carboxamide

C13H20N2O3 — CID 103900087

IUPACN-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)(CCCO)CNC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C13H20N2O3/c1-13(2,6-4-8-16)9-15-12(18)10-5-3-7-14-11(10)17/h3,5,7,16H,4,6,8-9H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyCJPYVXXGLVBTPU-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.90
Rot. Bonds6

About N-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-1H-pyridine-3-carboxamide

N-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 103900087) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID103900087
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)(CCCO)CNC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C13H20N2O3/c1-13(2,6-4-8-16)9-15-12(18)10-5-3-7-14-11(10)17/h3,5,7,16H,4,6,8-9H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyCJPYVXXGLVBTPU-UHFFFAOYSA-N
XLogP0.90
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 65110004
2-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 113348236
3-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 103899701
N-(2-hydroxy-2-phenylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 111335230
N-(5-hydroxy-2,2-dimethylpentyl)naphthalene-1-carboxamide
CID 103899589
N-(3-hydroxy-2-methylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 65037135
4,4-dimethyl-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 65284491
N-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 114383719
N-[3-(methylamino)propyl]-2-oxo-1H-pyridine-3-carboxamide
CID 43600703
2-chloro-5-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 106141392
4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 103899859
2-bromo-5-chloro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 103899354

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-1H-pyridine-3-carboxamide (CID 103900087) is N-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-1H-pyridine-3-carboxamide is CC(C)(CCCO)CNC(=O)c1ccc[nH]c1=O.
What is the InChIKey of N-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is CJPYVXXGLVBTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(2,6-4-8-16)9-15-12(18)10-5-3-7-14-11(10)17/h3,5,7,16H,4,6,8-9H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of N-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-1H-pyridine-3-carboxamide?
N-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 252.31 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103900087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).