2-(1-hydroxybutan-2-yl)pyridine-3-carboxamide;hydrochloride

C10H15ClN2O2 — CID 142680777

IUPAC2-(1-hydroxybutan-2-yl)pyridine-3-carboxamide;hydrochloride
SMILESCCC(CO)c1ncccc1C(N)=O.Cl
InChIInChI=1S/C10H14N2O2.ClH/c1-2-7(6-13)9-8(10(11)14)4-3-5-12-9;/h3-5,7,13H,2,6H2,1H3,(H2,11,14);1H
InChIKeyCXPZLUHYMDHJRE-UHFFFAOYSA-N
MW230.70 g/mol
LogP1.09
Rot. Bonds4

About 2-(1-hydroxybutan-2-yl)pyridine-3-carboxamide;hydrochloride

2-(1-hydroxybutan-2-yl)pyridine-3-carboxamide;hydrochloride (PubChem CID 142680777) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.70 g/mol. Its IUPAC name is 2-(1-hydroxybutan-2-yl)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(1-hydroxybutan-2-yl)pyridine-3-carboxamide;hydrochloride
PubChem CID142680777
Molecular FormulaC10H15ClN2O2
Molecular Weight230.70 g/mol
Exact Mass230.08
IUPAC Name2-(1-hydroxybutan-2-yl)pyridine-3-carboxamide;hydrochloride
SMILESCCC(CO)c1ncccc1C(N)=O.Cl
InChIInChI=1S/C10H14N2O2.ClH/c1-2-7(6-13)9-8(10(11)14)4-3-5-12-9;/h3-5,7,13H,2,6H2,1H3,(H2,11,14);1H
InChIKeyCXPZLUHYMDHJRE-UHFFFAOYSA-N
XLogP1.09
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1-hydroxybutan-2-yl)pyridine-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
CID 140609649
2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboxamide
CID 115868770
2-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide
CID 140528330
2-(1-hydroxyprop-2-enyl)pyridine-3-carboxamide
CID 66912543
2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxamide
CID 61360383
2-(1-amino-2-hydroxyethyl)pyridine-3-carboxylic acid
CID 55293543
2-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide
CID 115643931
2-[butan-2-yl-(3-carbamoyl-2-pyridinyl)amino]acetic acid
CID 54926120
2-(2-ethylhexyl)pyridine-3-carboxamide
CID 71001872
2-(butylamino)pyridine-3-carboxamide
CID 29031037
2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-3-carboxamide
CID 113334693
2-pyrimidin-2-ylpyridine-3-carboxamide
CID 154307272

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxybutan-2-yl)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 2-(1-hydroxybutan-2-yl)pyridine-3-carboxamide;hydrochloride (CID 142680777) is 2-(1-hydroxybutan-2-yl)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-(1-hydroxybutan-2-yl)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 2-(1-hydroxybutan-2-yl)pyridine-3-carboxamide;hydrochloride is CCC(CO)c1ncccc1C(N)=O.Cl.
What is the InChIKey of 2-(1-hydroxybutan-2-yl)pyridine-3-carboxamide;hydrochloride?
The InChIKey is CXPZLUHYMDHJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2.ClH/c1-2-7(6-13)9-8(10(11)14)4-3-5-12-9;/h3-5,7,13H,2,6H2,1H3,(H2,11,14);1H.
What are the key properties of 2-(1-hydroxybutan-2-yl)pyridine-3-carboxamide;hydrochloride?
2-(1-hydroxybutan-2-yl)pyridine-3-carboxamide;hydrochloride has a molecular weight of 230.70 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxybutan-2-yl)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 142680777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).