3-hydroxy-N-(2-hydroxy-2-methylpentyl)pyridine-2-carboxamide

C12H18N2O3 — CID 103725204

IUPAC3-hydroxy-N-(2-hydroxy-2-methylpentyl)pyridine-2-carboxamide
SMILESCCCC(C)(O)CNC(=O)c1ncccc1O
InChIInChI=1S/C12H18N2O3/c1-3-6-12(2,17)8-14-11(16)10-9(15)5-4-7-13-10/h4-5,7,15,17H,3,6,8H2,1-2H3,(H,14,16)
InChIKeyYGBOMKMZQILVTN-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.07
Rot. Bonds5

About 3-hydroxy-N-(2-hydroxy-2-methylpentyl)pyridine-2-carboxamide

3-hydroxy-N-(2-hydroxy-2-methylpentyl)pyridine-2-carboxamide (PubChem CID 103725204) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-hydroxy-N-(2-hydroxy-2-methylpentyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-hydroxy-2-methylpentyl)pyridine-2-carboxamide
PubChem CID103725204
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-hydroxy-N-(2-hydroxy-2-methylpentyl)pyridine-2-carboxamide
SMILESCCCC(C)(O)CNC(=O)c1ncccc1O
InChIInChI=1S/C12H18N2O3/c1-3-6-12(2,17)8-14-11(16)10-9(15)5-4-7-13-10/h4-5,7,15,17H,3,6,8H2,1-2H3,(H,14,16)
InChIKeyYGBOMKMZQILVTN-UHFFFAOYSA-N
XLogP1.07
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide
CID 66179346
N-(2,2-dimethylbutyl)-3-hydroxypyridine-2-carboxamide
CID 103461999
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-hydroxypyridine-2-carboxamide
CID 104696924
3-hydroxy-N-(1-hydroxy-2-methylpentan-2-yl)pyridine-2-carboxamide
CID 86802049
2-ethyl-2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]butanoic acid
CID 113308420
3-amino-N-(2-hydroxy-2-methylbutyl)pyridine-2-carboxamide
CID 104742439
N-(2-hydroxy-2-methylpentyl)quinoxaline-6-carboxamide
CID 103713237
N-tert-butyl-3-hydroxypyridine-2-carboxamide
CID 3020808
2-[(2-hydroxy-2-methylpentyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055666
N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
CID 113240365
3-hydroxy-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-2-carboxamide
CID 99697185
3-hydroxypyridine-2-carbohydrazide
CID 45083058

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-hydroxy-2-methylpentyl)pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-N-(2-hydroxy-2-methylpentyl)pyridine-2-carboxamide (CID 103725204) is 3-hydroxy-N-(2-hydroxy-2-methylpentyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(2-hydroxy-2-methylpentyl)pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-(2-hydroxy-2-methylpentyl)pyridine-2-carboxamide is CCCC(C)(O)CNC(=O)c1ncccc1O.
What is the InChIKey of 3-hydroxy-N-(2-hydroxy-2-methylpentyl)pyridine-2-carboxamide?
The InChIKey is YGBOMKMZQILVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-6-12(2,17)8-14-11(16)10-9(15)5-4-7-13-10/h4-5,7,15,17H,3,6,8H2,1-2H3,(H,14,16).
What are the key properties of 3-hydroxy-N-(2-hydroxy-2-methylpentyl)pyridine-2-carboxamide?
3-hydroxy-N-(2-hydroxy-2-methylpentyl)pyridine-2-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 1.07, 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-methylpentyl)pyridine-2-carboxamide is sourced from PubChem (CID 103725204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).