N-(4-hydroxy-1-methoxybutan-2-yl)-6-methylpyridine-3-carboxamide

C12H18N2O3 — CID 103799620

IUPACN-(4-hydroxy-1-methoxybutan-2-yl)-6-methylpyridine-3-carboxamide
SMILESCOCC(CCO)NC(=O)c1ccc(C)nc1
InChIInChI=1S/C12H18N2O3/c1-9-3-4-10(7-13-9)12(16)14-11(5-6-15)8-17-2/h3-4,7,11,15H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyLYHVRDPOPUEEOR-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.52
Rot. Bonds6

About N-(4-hydroxy-1-methoxybutan-2-yl)-6-methylpyridine-3-carboxamide

N-(4-hydroxy-1-methoxybutan-2-yl)-6-methylpyridine-3-carboxamide (PubChem CID 103799620) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(4-hydroxy-1-methoxybutan-2-yl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methoxybutan-2-yl)-6-methylpyridine-3-carboxamide
PubChem CID103799620
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-(4-hydroxy-1-methoxybutan-2-yl)-6-methylpyridine-3-carboxamide
SMILESCOCC(CCO)NC(=O)c1ccc(C)nc1
InChIInChI=1S/C12H18N2O3/c1-9-3-4-10(7-13-9)12(16)14-11(5-6-15)8-17-2/h3-4,7,11,15H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyLYHVRDPOPUEEOR-UHFFFAOYSA-N
XLogP0.52
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 ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide
CID 103799473
N-(4-hydroxy-1-methoxybutan-2-yl)pyrimidine-5-carboxamide
CID 104629797
3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylbenzamide
CID 113264488
4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methoxybenzamide
CID 103850770
N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-3-carboxamide
CID 61247488
3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide
CID 113434933
N-(1-hydroxypentan-3-yl)-6-methoxypyridine-3-carboxamide
CID 115767344
3-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methoxybenzamide
CID 103850888
N-(4-hydroxy-1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide
CID 103799562
N-(3-chloro-4-methoxybutyl)-6-methylpyridine-3-carboxamide
CID 106244040
2-(dimethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide
CID 103799343
4-amino-3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106151971

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-6-methylpyridine-3-carboxamide (CID 103799620) is N-(4-hydroxy-1-methoxybutan-2-yl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-1-methoxybutan-2-yl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-1-methoxybutan-2-yl)-6-methylpyridine-3-carboxamide is COCC(CCO)NC(=O)c1ccc(C)nc1.
What is the InChIKey of N-(4-hydroxy-1-methoxybutan-2-yl)-6-methylpyridine-3-carboxamide?
The InChIKey is LYHVRDPOPUEEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9-3-4-10(7-13-9)12(16)14-11(5-6-15)8-17-2/h3-4,7,11,15H,5-6,8H2,1-2H3,(H,14,16).
What are the key properties of N-(4-hydroxy-1-methoxybutan-2-yl)-6-methylpyridine-3-carboxamide?
N-(4-hydroxy-1-methoxybutan-2-yl)-6-methylpyridine-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-methoxybutan-2-yl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 103799620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).