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

C10H14N2O3 — CID 104981468

IUPAC5-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
SMILESCC[C@@H](CO)NC(=O)c1cncc(O)c1
InChIInChI=1S/C10H14N2O3/c1-2-8(6-13)12-10(15)7-3-9(14)5-11-4-7/h3-5,8,13-14H,2,6H2,1H3,(H,12,15)/t8-/m0/s1
InChIKeyDEIQHICNXCYXPN-QMMMGPOBSA-N
MW210.23 g/mol
LogP0.29
Rot. Bonds4

About 5-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide

5-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide (PubChem CID 104981468) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
PubChem CID104981468
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name5-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
SMILESCC[C@@H](CO)NC(=O)c1cncc(O)c1
InChIInChI=1S/C10H14N2O3/c1-2-8(6-13)12-10(15)7-3-9(14)5-11-4-7/h3-5,8,13-14H,2,6H2,1H3,(H,12,15)/t8-/m0/s1
InChIKeyDEIQHICNXCYXPN-QMMMGPOBSA-N
XLogP0.29
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-N-propan-2-ylpyridine-3-carboxamide
CID 63864751
5-hydroxy-N-(4-hydroxybutan-2-yl)pyridine-3-carboxamide
CID 115283714
5-hydroxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-3-carboxamide
CID 103801487
5,6-dichloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
CID 93040790
5-N-(1,3-dihydroxypropan-2-yl)pyridine-3,5-dicarboxamide
CID 151969926
5-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 103725984
5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 54975093
N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-hydroxypyridine-3-carboxamide
CID 103110784
methyl (2S)-2-[(5-hydroxypyridine-3-carbonyl)amino]propanoate
CID 63860111
N-(1-ethoxy-3-methylbutan-2-yl)-5-hydroxypyridine-3-carboxamide
CID 103282636
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-6-oxo-1H-pyridine-4-carboxamide
CID 104981474

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 5-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide (CID 104981468) is 5-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide is CC[C@@H](CO)NC(=O)c1cncc(O)c1.
What is the InChIKey of 5-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide?
The InChIKey is DEIQHICNXCYXPN-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-8(6-13)12-10(15)7-3-9(14)5-11-4-7/h3-5,8,13-14H,2,6H2,1H3,(H,12,15)/t8-/m0/s1.
What are the key properties of 5-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide?
5-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide has a molecular weight of 210.23 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 104981468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).