N-(3-hydroxy-4-methoxybutyl)-6-methoxypyridine-3-carboxamide

C12H18N2O4 — CID 103877604

IUPACN-(3-hydroxy-4-methoxybutyl)-6-methoxypyridine-3-carboxamide
SMILESCOCC(O)CCNC(=O)c1ccc(OC)nc1
InChIInChI=1S/C12H18N2O4/c1-17-8-10(15)5-6-13-12(16)9-3-4-11(18-2)14-7-9/h3-4,7,10,15H,5-6,8H2,1-2H3,(H,13,16)
InChIKeyFWPXZJMSYAYRBL-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.22
Rot. Bonds7

About N-(3-hydroxy-4-methoxybutyl)-6-methoxypyridine-3-carboxamide

N-(3-hydroxy-4-methoxybutyl)-6-methoxypyridine-3-carboxamide (PubChem CID 103877604) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxybutyl)-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxybutyl)-6-methoxypyridine-3-carboxamide
PubChem CID103877604
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC NameN-(3-hydroxy-4-methoxybutyl)-6-methoxypyridine-3-carboxamide
SMILESCOCC(O)CCNC(=O)c1ccc(OC)nc1
InChIInChI=1S/C12H18N2O4/c1-17-8-10(15)5-6-13-12(16)9-3-4-11(18-2)14-7-9/h3-4,7,10,15H,5-6,8H2,1-2H3,(H,13,16)
InChIKeyFWPXZJMSYAYRBL-UHFFFAOYSA-N
XLogP0.22
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide
CID 103877191
N-(2-ethylbutyl)-6-methoxypyridine-3-carboxamide
CID 113232040
6-methoxy-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102914743
N-(3-hydroxy-4-methoxybutyl)-6-oxo-1H-pyridine-3-carboxamide
CID 103877366
6-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 27548743
N-(3-hydroxy-4-methoxybutyl)-1H-indazole-5-carboxamide
CID 103876908
N-(3-chloro-4-methoxybutyl)-6-methylpyridine-3-carboxamide
CID 106244040
N-(3-hydroxy-4-methoxybutyl)-4-(propan-2-yloxymethyl)benzamide
CID 103877317
N-[2-(4-fluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 27019140
2-[2-[(6-methoxypyridine-3-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119241900
4-amino-N-(3-hydroxy-4-methoxybutyl)-3-iodobenzamide
CID 112750978
4-amino-3-chloro-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 114162951

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxybutyl)-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methoxybutyl)-6-methoxypyridine-3-carboxamide (CID 103877604) is N-(3-hydroxy-4-methoxybutyl)-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxybutyl)-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methoxybutyl)-6-methoxypyridine-3-carboxamide is COCC(O)CCNC(=O)c1ccc(OC)nc1.
What is the InChIKey of N-(3-hydroxy-4-methoxybutyl)-6-methoxypyridine-3-carboxamide?
The InChIKey is FWPXZJMSYAYRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-17-8-10(15)5-6-13-12(16)9-3-4-11(18-2)14-7-9/h3-4,7,10,15H,5-6,8H2,1-2H3,(H,13,16).
What are the key properties of N-(3-hydroxy-4-methoxybutyl)-6-methoxypyridine-3-carboxamide?
N-(3-hydroxy-4-methoxybutyl)-6-methoxypyridine-3-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxybutyl)-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 103877604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).