N-(1-hydroxypentan-3-yl)-6-methoxypyridine-3-carboxamide

C12H18N2O3 — CID 115767344

IUPACN-(1-hydroxypentan-3-yl)-6-methoxypyridine-3-carboxamide
SMILESCCC(CCO)NC(=O)c1ccc(OC)nc1
InChIInChI=1S/C12H18N2O3/c1-3-10(6-7-15)14-12(16)9-4-5-11(17-2)13-8-9/h4-5,8,10,15H,3,6-7H2,1-2H3,(H,14,16)
InChIKeyUBHVPGOZPABNNU-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.98
Rot. Bonds6

About N-(1-hydroxypentan-3-yl)-6-methoxypyridine-3-carboxamide

N-(1-hydroxypentan-3-yl)-6-methoxypyridine-3-carboxamide (PubChem CID 115767344) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)-6-methoxypyridine-3-carboxamide
PubChem CID115767344
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-(1-hydroxypentan-3-yl)-6-methoxypyridine-3-carboxamide
SMILESCCC(CCO)NC(=O)c1ccc(OC)nc1
InChIInChI=1S/C12H18N2O3/c1-3-10(6-7-15)14-12(16)9-4-5-11(17-2)13-8-9/h4-5,8,10,15H,3,6-7H2,1-2H3,(H,14,16)
InChIKeyUBHVPGOZPABNNU-UHFFFAOYSA-N
XLogP0.98
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylbutyl)-6-methoxypyridine-3-carboxamide
CID 113232040
N-(4-hydroxy-1-methoxybutan-2-yl)-6-methylpyridine-3-carboxamide
CID 103799620
N-(1-hydroxypentan-3-yl)-4-propoxybenzamide
CID 115767380
3-fluoro-N-(1-hydroxypentan-3-yl)-4-methoxybenzamide
CID 109478916
6-methoxy-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 24645455
(2R)-5-methoxy-2-[(6-methoxypyridine-3-carbonyl)amino]-5-oxopentanoic acid
CID 107820810
1-N-(2,2-dimethylpropyl)-4-N-(1-hydroxypentan-3-yl)benzene-1,4-dicarboxamide
CID 109479295
6-methoxy-N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]pyridine-3-carboxamide
CID 95857759
(2R)-2-[(6-methoxypyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 104906521
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methoxypyridine-3-carboxamide
CID 107845114
6-hydrazinyl-N-pentan-3-ylpyridine-3-carboxamide
CID 62247178
3-hydroxy-2-[(6-methoxypyridine-3-carbonyl)amino]butanoic acid
CID 43353726

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)-6-methoxypyridine-3-carboxamide (CID 115767344) is N-(1-hydroxypentan-3-yl)-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)-6-methoxypyridine-3-carboxamide is CCC(CCO)NC(=O)c1ccc(OC)nc1.
What is the InChIKey of N-(1-hydroxypentan-3-yl)-6-methoxypyridine-3-carboxamide?
The InChIKey is UBHVPGOZPABNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-10(6-7-15)14-12(16)9-4-5-11(17-2)13-8-9/h4-5,8,10,15H,3,6-7H2,1-2H3,(H,14,16).
What are the key properties of N-(1-hydroxypentan-3-yl)-6-methoxypyridine-3-carboxamide?
N-(1-hydroxypentan-3-yl)-6-methoxypyridine-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-3-yl)-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 115767344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).