2-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide

C10H14N2O2 — CID 140609649

IUPAC2-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
SMILESCC[C@H](CO)c1ncccc1C(N)=O
InChIInChI=1S/C10H14N2O2/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)/t7-/m1/s1
InChIKeyBNXUQUSOJZHGGZ-SSDOTTSWSA-N
MW194.23 g/mol
LogP0.67
Rot. Bonds4

About 2-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide

2-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide (PubChem CID 140609649) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
PubChem CID140609649
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
SMILESCC[C@H](CO)c1ncccc1C(N)=O
InChIInChI=1S/C10H14N2O2/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)/t7-/m1/s1
InChIKeyBNXUQUSOJZHGGZ-SSDOTTSWSA-N
XLogP0.67
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hydroxybutan-2-yl)pyridine-3-carboxamide;hydrochloride
CID 142680777
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-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide (CID 140609649) is 2-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide is CC[C@H](CO)c1ncccc1C(N)=O.
What is the InChIKey of 2-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide?
The InChIKey is BNXUQUSOJZHGGZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14N2O2/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)/t7-/m1/s1.
What are the key properties of 2-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide?
2-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide has a molecular weight of 194.23 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 140609649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).