N-(1-hydroxy-4-methylpentan-3-yl)pyridine-3-carboxamide

C12H18N2O2 — CID 103751046

IUPACN-(1-hydroxy-4-methylpentan-3-yl)pyridine-3-carboxamide
SMILESCC(C)C(CCO)NC(=O)c1cccnc1
InChIInChI=1S/C12H18N2O2/c1-9(2)11(5-7-15)14-12(16)10-4-3-6-13-8-10/h3-4,6,8-9,11,15H,5,7H2,1-2H3,(H,14,16)
InChIKeyGZOGXBGVQGVGIS-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.22
Rot. Bonds5

About N-(1-hydroxy-4-methylpentan-3-yl)pyridine-3-carboxamide

N-(1-hydroxy-4-methylpentan-3-yl)pyridine-3-carboxamide (PubChem CID 103751046) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-3-yl)pyridine-3-carboxamide
PubChem CID103751046
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(1-hydroxy-4-methylpentan-3-yl)pyridine-3-carboxamide
SMILESCC(C)C(CCO)NC(=O)c1cccnc1
InChIInChI=1S/C12H18N2O2/c1-9(2)11(5-7-15)14-12(16)10-4-3-6-13-8-10/h3-4,6,8-9,11,15H,5,7H2,1-2H3,(H,14,16)
InChIKeyGZOGXBGVQGVGIS-UHFFFAOYSA-N
XLogP1.22
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-4-methylpentan-3-yl)pyrimidine-5-carboxamide
CID 104629427
N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 61246175
N-[1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide
CID 172719109
3-methyl-2-(pyridine-3-carbonylamino)butanoic acid;hydrochloride
CID 52993255
N-[(2S)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 54216769
N-(1-phenoxypropan-2-yl)pyridine-3-carboxamide
CID 47311353
1-(1-hydroxy-4-methylpentan-3-yl)-3-[1-(4-pyridin-3-ylphenyl)ethyl]urea
CID 111619429
N-[2-(2-hydroxyethyl)pentyl]pyridine-3-carboxamide
CID 103722744
N-(1-hydroxy-4-methylpentan-3-yl)-2-pyridin-4-ylbenzamide
CID 126834520
N-(1-hydroxy-4-methylpentan-3-yl)-1H-indazole-6-carboxamide
CID 106352905
N-(1-hydroxy-4-methylpentan-3-yl)-3H-benzimidazole-5-carboxamide
CID 103852402
(2R,3S)-3-hydroxy-2-(pyridine-3-carbonylamino)butanoic acid
CID 843815

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)pyridine-3-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)pyridine-3-carboxamide (CID 103751046) is N-(1-hydroxy-4-methylpentan-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-3-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-3-yl)pyridine-3-carboxamide is CC(C)C(CCO)NC(=O)c1cccnc1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-3-yl)pyridine-3-carboxamide?
The InChIKey is GZOGXBGVQGVGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(2)11(5-7-15)14-12(16)10-4-3-6-13-8-10/h3-4,6,8-9,11,15H,5,7H2,1-2H3,(H,14,16).
What are the key properties of N-(1-hydroxy-4-methylpentan-3-yl)pyridine-3-carboxamide?
N-(1-hydroxy-4-methylpentan-3-yl)pyridine-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 103751046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).