N-(4-hydroxybutyl)-3-methoxypyridine-4-carboxamide

C11H16N2O3 — CID 106843109

IUPACN-(4-hydroxybutyl)-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)NCCCCO
InChIInChI=1S/C11H16N2O3/c1-16-10-8-12-6-4-9(10)11(15)13-5-2-3-7-14/h4,6,8,14H,2-3,5,7H2,1H3,(H,13,15)
InChIKeyAIWDEBODVFKKSK-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.59
Rot. Bonds6

About N-(4-hydroxybutyl)-3-methoxypyridine-4-carboxamide

N-(4-hydroxybutyl)-3-methoxypyridine-4-carboxamide (PubChem CID 106843109) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-3-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-3-methoxypyridine-4-carboxamide
PubChem CID106843109
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-(4-hydroxybutyl)-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)NCCCCO
InChIInChI=1S/C11H16N2O3/c1-16-10-8-12-6-4-9(10)11(15)13-5-2-3-7-14/h4,6,8,14H,2-3,5,7H2,1H3,(H,13,15)
InChIKeyAIWDEBODVFKKSK-UHFFFAOYSA-N
XLogP0.59
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-[2-(methylamino)ethyl]pyridine-4-carboxamide
CID 105064057
N-(3-bromobutyl)-3-methoxypyridine-4-carboxamide
CID 105064561
3-fluoro-N-(5-hydroxypentyl)pyridine-4-carboxamide
CID 107317148
3-methoxy-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105063807
N-(3-amino-4-methoxybutyl)-3-methoxypyridine-4-carboxamide
CID 106243160
N-[(2-hydroxyphenyl)methyl]-3-methoxypyridine-4-carboxamide
CID 105063699
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methoxypyridine-4-carboxamide
CID 105063923
3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 64950514
N-(4-hydroxybutyl)-2,5-dimethoxybenzamide
CID 106843793
N-(4-hydroxybutyl)-2,3-dimethoxybenzamide
CID 106843372
N-(2-bromo-3-methylbutyl)-3-methoxypyridine-4-carboxamide
CID 105064608
4-(4-methoxybutylcarbamoyl)pyridine-3-carboxylic acid
CID 114244376

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-3-methoxypyridine-4-carboxamide?
The IUPAC name of N-(4-hydroxybutyl)-3-methoxypyridine-4-carboxamide (CID 106843109) is N-(4-hydroxybutyl)-3-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-(4-hydroxybutyl)-3-methoxypyridine-4-carboxamide?
The canonical SMILES for N-(4-hydroxybutyl)-3-methoxypyridine-4-carboxamide is COc1cnccc1C(=O)NCCCCO.
What is the InChIKey of N-(4-hydroxybutyl)-3-methoxypyridine-4-carboxamide?
The InChIKey is AIWDEBODVFKKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-16-10-8-12-6-4-9(10)11(15)13-5-2-3-7-14/h4,6,8,14H,2-3,5,7H2,1H3,(H,13,15).
What are the key properties of N-(4-hydroxybutyl)-3-methoxypyridine-4-carboxamide?
N-(4-hydroxybutyl)-3-methoxypyridine-4-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-3-methoxypyridine-4-carboxamide is sourced from PubChem (CID 106843109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).