N-(3-hydroxy-4-methoxybutyl)-2-methylpyridine-3-carboxamide

C12H18N2O3 — CID 103876978

IUPACN-(3-hydroxy-4-methoxybutyl)-2-methylpyridine-3-carboxamide
SMILESCOCC(O)CCNC(=O)c1cccnc1C
InChIInChI=1S/C12H18N2O3/c1-9-11(4-3-6-13-9)12(16)14-7-5-10(15)8-17-2/h3-4,6,10,15H,5,7-8H2,1-2H3,(H,14,16)
InChIKeyIJPRWSWZEPLPLW-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.52
Rot. Bonds6

About N-(3-hydroxy-4-methoxybutyl)-2-methylpyridine-3-carboxamide

N-(3-hydroxy-4-methoxybutyl)-2-methylpyridine-3-carboxamide (PubChem CID 103876978) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxybutyl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxybutyl)-2-methylpyridine-3-carboxamide
PubChem CID103876978
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-(3-hydroxy-4-methoxybutyl)-2-methylpyridine-3-carboxamide
SMILESCOCC(O)CCNC(=O)c1cccnc1C
InChIInChI=1S/C12H18N2O3/c1-9-11(4-3-6-13-9)12(16)14-7-5-10(15)8-17-2/h3-4,6,10,15H,5,7-8H2,1-2H3,(H,14,16)
InChIKeyIJPRWSWZEPLPLW-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-(3,3-diphenylpropyl)-2-methylpyridine-3-carboxamide
CID 11976200
methyl 3-[(2-methylpyridine-3-carbonyl)amino]propanoate
CID 78950792
3-chloro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzamide
CID 107168176
2-ethoxy-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 103876954
2-bromo-3-fluoro-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 106243511
N-[2-(2-hydroxypropylamino)ethyl]-2-methylpyridine-3-carboxamide
CID 104593577
N-(4-bromo-1-methoxybutan-2-yl)-2-methylpyridine-3-carboxamide
CID 106156171
2-methyl-5-[(2-methylpyridine-3-carbonyl)amino]pentanoic acid
CID 113440647
N-(1-bromo-3-methoxypropan-2-yl)-2-methylpyridine-3-carboxamide
CID 106184021
methyl 6-[(2-methylpyridine-3-carbonyl)amino]hexanoate
CID 78951048
2-fluoro-N-(3-hydroxy-4-methoxybutyl)-4-methylbenzamide
CID 103876983
N-hexyl-2-methylpyridine-3-carboxamide
CID 67377746

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxybutyl)-2-methylpyridine-3-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methoxybutyl)-2-methylpyridine-3-carboxamide (CID 103876978) is N-(3-hydroxy-4-methoxybutyl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxybutyl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methoxybutyl)-2-methylpyridine-3-carboxamide is COCC(O)CCNC(=O)c1cccnc1C.
What is the InChIKey of N-(3-hydroxy-4-methoxybutyl)-2-methylpyridine-3-carboxamide?
The InChIKey is IJPRWSWZEPLPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9-11(4-3-6-13-9)12(16)14-7-5-10(15)8-17-2/h3-4,6,10,15H,5,7-8H2,1-2H3,(H,14,16).
What are the key properties of N-(3-hydroxy-4-methoxybutyl)-2-methylpyridine-3-carboxamide?
N-(3-hydroxy-4-methoxybutyl)-2-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-(3-hydroxy-4-methoxybutyl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 103876978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).