3-(4-hydroxybutyl)pyridine-2-carboxamide

C10H14N2O2 — CID 173142407

IUPAC3-(4-hydroxybutyl)pyridine-2-carboxamide
SMILESNC(=O)c1ncccc1CCCCO
InChIInChI=1S/C10H14N2O2/c11-10(14)9-8(4-1-2-7-13)5-3-6-12-9/h3,5-6,13H,1-2,4,7H2,(H2,11,14)
InChIKeyUOPHDRVASJUBKL-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.50
Rot. Bonds5

About 3-(4-hydroxybutyl)pyridine-2-carboxamide

3-(4-hydroxybutyl)pyridine-2-carboxamide (PubChem CID 173142407) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(4-hydroxybutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(4-hydroxybutyl)pyridine-2-carboxamide
PubChem CID173142407
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-(4-hydroxybutyl)pyridine-2-carboxamide
SMILESNC(=O)c1ncccc1CCCCO
InChIInChI=1S/C10H14N2O2/c11-10(14)9-8(4-1-2-7-13)5-3-6-12-9/h3,5-6,13H,1-2,4,7H2,(H2,11,14)
InChIKeyUOPHDRVASJUBKL-UHFFFAOYSA-N
XLogP0.50
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-hydroxyoctyl)pyridine-2-carboxamide
CID 57359600
3-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
CID 175762355
3-(2-ethylphenyl)pyridine-2-carboxamide
CID 174881246
3-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 140674320
3-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 175807112
3-(3-hydroxypropyl)quinoline-2-carboxamide
CID 173116844
3-N-(2-hydroxyethyl)pyridine-2,3-dicarboxamide
CID 86150893
3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carbothioamide
CID 62894279
5-[2-(4-fluorophenyl)-3-pyridinyl]pentan-1-ol
CID 22368196
4-(4-hydroxybutyl)naphthalene-1-carboxamide
CID 90789019
2-(3-pyridin-2-ylpropyl)benzamide
CID 173328031
4-(2,3-diaminophenyl)butan-1-ol
CID 67906249

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxybutyl)pyridine-2-carboxamide?
The IUPAC name of 3-(4-hydroxybutyl)pyridine-2-carboxamide (CID 173142407) is 3-(4-hydroxybutyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(4-hydroxybutyl)pyridine-2-carboxamide?
The canonical SMILES for 3-(4-hydroxybutyl)pyridine-2-carboxamide is NC(=O)c1ncccc1CCCCO.
What is the InChIKey of 3-(4-hydroxybutyl)pyridine-2-carboxamide?
The InChIKey is UOPHDRVASJUBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c11-10(14)9-8(4-1-2-7-13)5-3-6-12-9/h3,5-6,13H,1-2,4,7H2,(H2,11,14).
What are the key properties of 3-(4-hydroxybutyl)pyridine-2-carboxamide?
3-(4-hydroxybutyl)pyridine-2-carboxamide has a molecular weight of 194.23 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxybutyl)pyridine-2-carboxamide is sourced from PubChem (CID 173142407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).