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

C12H18N2O3 — CID 99697185

IUPAC3-hydroxy-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-2-carboxamide
SMILESCC[C@@](C)(CCO)NC(=O)c1ncccc1O
InChIInChI=1S/C12H18N2O3/c1-3-12(2,6-8-15)14-11(17)10-9(16)5-4-7-13-10/h4-5,7,15-16H,3,6,8H2,1-2H3,(H,14,17)/t12-/m0/s1
InChIKeyPLQMLSJFOGPNQV-LBPRGKRZSA-N
MW238.29 g/mol
LogP1.07
Rot. Bonds5

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

3-hydroxy-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-2-carboxamide (PubChem CID 99697185) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-hydroxy-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-2-carboxamide
PubChem CID99697185
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-hydroxy-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-2-carboxamide
SMILESCC[C@@](C)(CCO)NC(=O)c1ncccc1O
InChIInChI=1S/C12H18N2O3/c1-3-12(2,6-8-15)14-11(17)10-9(16)5-4-7-13-10/h4-5,7,15-16H,3,6,8H2,1-2H3,(H,14,17)/t12-/m0/s1
InChIKeyPLQMLSJFOGPNQV-LBPRGKRZSA-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-(1-hydroxy-2-methylpentan-2-yl)pyridine-2-carboxamide
CID 86802049
N-tert-butyl-3-hydroxypyridine-2-carboxamide
CID 3020808
N-(2,2-dimethylbutyl)-3-hydroxypyridine-2-carboxamide
CID 103461999
N-(1-hydroxy-3-methylpentan-3-yl)quinoline-5-carboxamide
CID 103946162
2-(3-methylpentan-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 106328232
N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide
CID 86783655
N-(1-hydroxy-3-methylpentan-3-yl)quinoxaline-5-carboxamide
CID 104580990
3-hydroxy-N-(2-hydroxy-2-methylpentyl)pyridine-2-carboxamide
CID 103725204
2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]benzoic acid
CID 106167893
3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylbenzamide
CID 103958358
3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103946097
N-(1-hydroxy-3-methylpentan-3-yl)-1H-pyrrole-2-carboxamide
CID 75498993

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-2-carboxamide (CID 99697185) is 3-hydroxy-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-2-carboxamide is CC[C@@](C)(CCO)NC(=O)c1ncccc1O.
What is the InChIKey of 3-hydroxy-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-2-carboxamide?
The InChIKey is PLQMLSJFOGPNQV-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-12(2,6-8-15)14-11(17)10-9(16)5-4-7-13-10/h4-5,7,15-16H,3,6,8H2,1-2H3,(H,14,17)/t12-/m0/s1.
What are the key properties of 3-hydroxy-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-2-carboxamide?
3-hydroxy-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]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-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 99697185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).