3-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide

C13H20N2O3 — CID 66179346

IUPAC3-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide
SMILESCC(C)CC(C)(O)CNC(=O)c1ncccc1O
InChIInChI=1S/C13H20N2O3/c1-9(2)7-13(3,18)8-15-12(17)11-10(16)5-4-6-14-11/h4-6,9,16,18H,7-8H2,1-3H3,(H,15,17)
InChIKeyXZLIUEPOXVLZSQ-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.31
Rot. Bonds5

About 3-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide

3-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide (PubChem CID 66179346) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide
PubChem CID66179346
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide
SMILESCC(C)CC(C)(O)CNC(=O)c1ncccc1O
InChIInChI=1S/C13H20N2O3/c1-9(2)7-13(3,18)8-15-12(17)11-10(16)5-4-6-14-11/h4-6,9,16,18H,7-8H2,1-3H3,(H,15,17)
InChIKeyXZLIUEPOXVLZSQ-UHFFFAOYSA-N
XLogP1.31
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-(2-hydroxy-2-methylpentyl)pyridine-2-carboxamide
CID 103725204
N-(2,2-dimethylbutyl)-3-hydroxypyridine-2-carboxamide
CID 103461999
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-hydroxypyridine-2-carboxamide
CID 104696924
N-(2-hydroxy-2,4-dimethylpentyl)-2-pyridin-3-ylacetamide
CID 66178919
5-bromo-2-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 107729906
3-hydroxy-N-[2-methyl-3-(methylamino)propyl]pyridine-2-carboxamide
CID 115302635
2-ethyl-2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]butanoic acid
CID 113308420
3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66179359
3,4,5-trichloro-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide
CID 66178693
3-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 54861412
N-tert-butyl-3-hydroxypyridine-2-carboxamide
CID 3020808
N-(2-hydroxy-2,4-dimethylpentyl)-2-iodobenzamide
CID 66178734

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide (CID 66179346) is 3-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide is CC(C)CC(C)(O)CNC(=O)c1ncccc1O.
What is the InChIKey of 3-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide?
The InChIKey is XZLIUEPOXVLZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(2)7-13(3,18)8-15-12(17)11-10(16)5-4-6-14-11/h4-6,9,16,18H,7-8H2,1-3H3,(H,15,17).
What are the key properties of 3-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide?
3-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide has a molecular weight of 252.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide is sourced from PubChem (CID 66179346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).