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

C13H20N2O3 — CID 113237911

IUPAC5-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-3-carboxamide
SMILESCC(C)(C)CC(O)CNC(=O)c1cncc(O)c1
InChIInChI=1S/C13H20N2O3/c1-13(2,3)5-11(17)8-15-12(18)9-4-10(16)7-14-6-9/h4,6-7,11,16-17H,5,8H2,1-3H3,(H,15,18)
InChIKeyQHWAIGMSWRXDEV-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.31
Rot. Bonds4

About 5-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-3-carboxamide

5-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-3-carboxamide (PubChem CID 113237911) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-3-carboxamide
PubChem CID113237911
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name5-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-3-carboxamide
SMILESCC(C)(C)CC(O)CNC(=O)c1cncc(O)c1
InChIInChI=1S/C13H20N2O3/c1-13(2,3)5-11(17)8-15-12(18)9-4-10(16)7-14-6-9/h4,6-7,11,16-17H,5,8H2,1-3H3,(H,15,18)
InChIKeyQHWAIGMSWRXDEV-UHFFFAOYSA-N
XLogP1.31
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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

N-(2,2-dimethylpropyl)-5-hydroxypyridine-3-carboxamide
CID 63866542
(2S)-2-hydroxy-3-[(5-hydroxypyridine-3-carbonyl)amino]propanoic acid
CID 107833018
N-(2-cyclopropyl-2-hydroxyethyl)-5-hydroxypyridine-3-carboxamide
CID 63851883
3-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)-4-methylbenzamide
CID 103957156
N-(2-cyclopropylpropyl)-5-hydroxypyridine-3-carboxamide
CID 115622011
5-hydroxy-N-(3-methoxy-2-methylpropyl)pyridine-3-carboxamide
CID 63858922
N-(2-amino-4,4-dimethylpentyl)-5-methylpyridine-3-carboxamide
CID 107158461
N-(2-hydroxy-4,4-dimethylpentyl)-4-iodobenzamide
CID 103676431
2-fluoro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide
CID 113237946
2-[(5-hydroxypyridine-3-carbonyl)amino]acetic acid
CID 770223
5-hydroxy-N-[5-[(5-hydroxypyridine-3-carbonyl)amino]pentyl]pyridine-3-carboxamide
CID 3309734
N-(2-hydroxy-4,4-dimethylpentyl)-1H-indazole-5-carboxamide
CID 103719083

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-3-carboxamide?
The IUPAC name of 5-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-3-carboxamide (CID 113237911) is 5-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-3-carboxamide?
The canonical SMILES for 5-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-3-carboxamide is CC(C)(C)CC(O)CNC(=O)c1cncc(O)c1.
What is the InChIKey of 5-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-3-carboxamide?
The InChIKey is QHWAIGMSWRXDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(2,3)5-11(17)8-15-12(18)9-4-10(16)7-14-6-9/h4,6-7,11,16-17H,5,8H2,1-3H3,(H,15,18).
What are the key properties of 5-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-3-carboxamide?
5-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-3-carboxamide has a molecular weight of 252.31 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-3-carboxamide is sourced from PubChem (CID 113237911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).