N-(2-ethyl-2-hydroxybutyl)-6-methoxypyridine-3-carboxamide

C13H20N2O3 — CID 65112036

IUPACN-(2-ethyl-2-hydroxybutyl)-6-methoxypyridine-3-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1ccc(OC)nc1
InChIInChI=1S/C13H20N2O3/c1-4-13(17,5-2)9-15-12(16)10-6-7-11(18-3)14-8-10/h6-8,17H,4-5,9H2,1-3H3,(H,15,16)
InChIKeyMNOJIBYKHNIJTD-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.37
Rot. Bonds6

About N-(2-ethyl-2-hydroxybutyl)-6-methoxypyridine-3-carboxamide

N-(2-ethyl-2-hydroxybutyl)-6-methoxypyridine-3-carboxamide (PubChem CID 65112036) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-6-methoxypyridine-3-carboxamide
PubChem CID65112036
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-6-methoxypyridine-3-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1ccc(OC)nc1
InChIInChI=1S/C13H20N2O3/c1-4-13(17,5-2)9-15-12(16)10-6-7-11(18-3)14-8-10/h6-8,17H,4-5,9H2,1-3H3,(H,15,16)
InChIKeyMNOJIBYKHNIJTD-UHFFFAOYSA-N
XLogP1.37
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylbutyl)-6-methoxypyridine-3-carboxamide
CID 113232040
6-methoxy-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102914743
N-(2-ethyl-2-hydroxybutyl)-4-(methoxymethyl)benzamide
CID 65112007
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methoxypyridine-3-carboxamide
CID 107845114
4-acetyl-N-(2-ethyl-2-hydroxybutyl)benzamide
CID 111483322
methyl 2-[(6-methoxypyridine-3-carbonyl)amino]-2-methylpentanoate
CID 43431490
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
N-(3-hydroxy-4-methoxybutyl)-6-methoxypyridine-3-carboxamide
CID 103877604
6-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 27548743
6-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 27009221
benzyl 2-[(6-methoxypyridine-3-carbonyl)amino]acetate
CID 27020385
3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide
CID 56807264

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-6-methoxypyridine-3-carboxamide (CID 65112036) is N-(2-ethyl-2-hydroxybutyl)-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-6-methoxypyridine-3-carboxamide is CCC(O)(CC)CNC(=O)c1ccc(OC)nc1.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-6-methoxypyridine-3-carboxamide?
The InChIKey is MNOJIBYKHNIJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-13(17,5-2)9-15-12(16)10-6-7-11(18-3)14-8-10/h6-8,17H,4-5,9H2,1-3H3,(H,15,16).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-6-methoxypyridine-3-carboxamide?
N-(2-ethyl-2-hydroxybutyl)-6-methoxypyridine-3-carboxamide has a molecular weight of 252.31 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 65112036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).