N-(3-hydroxybutyl)-2-(2-methylpropoxy)pyridine-3-carboxamide

C14H22N2O3 — CID 111429038

IUPACN-(3-hydroxybutyl)-2-(2-methylpropoxy)pyridine-3-carboxamide
SMILESCC(C)COc1ncccc1C(=O)NCCC(C)O
InChIInChI=1S/C14H22N2O3/c1-10(2)9-19-14-12(5-4-7-16-14)13(18)15-8-6-11(3)17/h4-5,7,10-11,17H,6,8-9H2,1-3H3,(H,15,18)
InChIKeyKTOJODKZRWUQOK-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.62
Rot. Bonds7

About N-(3-hydroxybutyl)-2-(2-methylpropoxy)pyridine-3-carboxamide

N-(3-hydroxybutyl)-2-(2-methylpropoxy)pyridine-3-carboxamide (PubChem CID 111429038) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-2-(2-methylpropoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-2-(2-methylpropoxy)pyridine-3-carboxamide
PubChem CID111429038
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-(3-hydroxybutyl)-2-(2-methylpropoxy)pyridine-3-carboxamide
SMILESCC(C)COc1ncccc1C(=O)NCCC(C)O
InChIInChI=1S/C14H22N2O3/c1-10(2)9-19-14-12(5-4-7-16-14)13(18)15-8-6-11(3)17/h4-5,7,10-11,17H,6,8-9H2,1-3H3,(H,15,18)
InChIKeyKTOJODKZRWUQOK-UHFFFAOYSA-N
XLogP1.62
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(3-hydroxybutyl)pyridine-3-carboxamide
CID 103755462
2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide
CID 86323911
N-(3-methylbutyl)-2-phenoxypyridine-3-carboxamide
CID 24512570
N-(3-hydroxybutyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 111428918
2-(difluoromethoxy)-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 166385426
methyl 3-methyl-2-[[2-(2-methylpropoxy)pyridine-3-carbonyl]amino]benzoate
CID 86887787
N-(3-hydroxy-4-methoxybutyl)-2-methylpyridine-3-carboxamide
CID 103876978
2-(2-methylpropoxy)pyridine-3-carbothioamide
CID 24705507
2-(2,4-dimethylphenyl)sulfanyl-N-(3-hydroxybutyl)pyridine-3-carboxamide
CID 111433755
N-(4-hydroxypentyl)quinoline-5-carboxamide
CID 107300441
N-(3-chloropropyl)-2-methoxypyridine-3-carboxamide
CID 62873972
2,3-difluoro-N-(3-hydroxybutyl)pyridine-4-carboxamide
CID 105381305

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-2-(2-methylpropoxy)pyridine-3-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-2-(2-methylpropoxy)pyridine-3-carboxamide (CID 111429038) is N-(3-hydroxybutyl)-2-(2-methylpropoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-2-(2-methylpropoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-2-(2-methylpropoxy)pyridine-3-carboxamide is CC(C)COc1ncccc1C(=O)NCCC(C)O.
What is the InChIKey of N-(3-hydroxybutyl)-2-(2-methylpropoxy)pyridine-3-carboxamide?
The InChIKey is KTOJODKZRWUQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)9-19-14-12(5-4-7-16-14)13(18)15-8-6-11(3)17/h4-5,7,10-11,17H,6,8-9H2,1-3H3,(H,15,18).
What are the key properties of N-(3-hydroxybutyl)-2-(2-methylpropoxy)pyridine-3-carboxamide?
N-(3-hydroxybutyl)-2-(2-methylpropoxy)pyridine-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-2-(2-methylpropoxy)pyridine-3-carboxamide is sourced from PubChem (CID 111429038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).