3-ethoxy-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide

C14H22N2O3 — CID 111747151

IUPAC3-ethoxy-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide
SMILESCCOc1cccnc1C(=O)NCC(O)(CC)CC
InChIInChI=1S/C14H22N2O3/c1-4-14(18,5-2)10-16-13(17)12-11(19-6-3)8-7-9-15-12/h7-9,18H,4-6,10H2,1-3H3,(H,16,17)
InChIKeyIIJMYYRIFGXZNI-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.76
Rot. Bonds7

About 3-ethoxy-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide

3-ethoxy-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide (PubChem CID 111747151) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-ethoxy-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-ethoxy-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide
PubChem CID111747151
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-ethoxy-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide
SMILESCCOc1cccnc1C(=O)NCC(O)(CC)CC
InChIInChI=1S/C14H22N2O3/c1-4-14(18,5-2)10-16-13(17)12-11(19-6-3)8-7-9-15-12/h7-9,18H,4-6,10H2,1-3H3,(H,16,17)
InChIKeyIIJMYYRIFGXZNI-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxypyridine-2-carbonyl chloride
CID 142800977
ethane;2-ethoxy-N-(2-hydroxy-2-methylpropyl)benzamide
CID 142472938
3-ethoxy-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide
CID 71968920
N-(2,2-dimethylbutyl)-3-hydroxypyridine-2-carboxamide
CID 103461999
3-amino-N-(2-hydroxy-2-methylbutyl)pyridine-2-carboxamide
CID 104742439
3-hydroxy-N-(2-hydroxy-2-methylpentyl)pyridine-2-carboxamide
CID 103725204
N-(2-ethoxyphenyl)-3-hydroxypyridine-2-carboxamide
CID 54860891
2-ethyl-2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]butanoic acid
CID 113308420
N-(2-amino-2-ethylbutyl)-3-methylpyridine-2-carboxamide
CID 81483749
N-(2-ethyl-2-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide
CID 65113679
N-(2-ethyl-2-hydroxybutyl)-2-methylpyridine-4-carboxamide
CID 106753405
N-(2-amino-2-ethylbutyl)-2-ethoxybenzamide
CID 81484030

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide?
The IUPAC name of 3-ethoxy-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide (CID 111747151) is 3-ethoxy-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-ethoxy-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide?
The canonical SMILES for 3-ethoxy-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide is CCOc1cccnc1C(=O)NCC(O)(CC)CC.
What is the InChIKey of 3-ethoxy-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide?
The InChIKey is IIJMYYRIFGXZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-14(18,5-2)10-16-13(17)12-11(19-6-3)8-7-9-15-12/h7-9,18H,4-6,10H2,1-3H3,(H,16,17).
What are the key properties of 3-ethoxy-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide?
3-ethoxy-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide is sourced from PubChem (CID 111747151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).