4-(2,2-difluoroethoxy)-N-(1-hydroxypentan-3-yl)pyridine-2-carboxamide

C13H18F2N2O3 — CID 110000328

IUPAC4-(2,2-difluoroethoxy)-N-(1-hydroxypentan-3-yl)pyridine-2-carboxamide
SMILESCCC(CCO)NC(=O)c1cc(OCC(F)F)ccn1
InChIInChI=1S/C13H18F2N2O3/c1-2-9(4-6-18)17-13(19)11-7-10(3-5-16-11)20-8-12(14)15/h3,5,7,9,12,18H,2,4,6,8H2,1H3,(H,17,19)
InChIKeyMGQMZWNYOWPTCJ-UHFFFAOYSA-N
MW288.29 g/mol
LogP1.62
Rot. Bonds8

About 4-(2,2-difluoroethoxy)-N-(1-hydroxypentan-3-yl)pyridine-2-carboxamide

4-(2,2-difluoroethoxy)-N-(1-hydroxypentan-3-yl)pyridine-2-carboxamide (PubChem CID 110000328) has the molecular formula C13H18F2N2O3 and a molecular weight of 288.29 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-N-(1-hydroxypentan-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-N-(1-hydroxypentan-3-yl)pyridine-2-carboxamide
PubChem CID110000328
Molecular FormulaC13H18F2N2O3
Molecular Weight288.29 g/mol
Exact Mass288.13
IUPAC Name4-(2,2-difluoroethoxy)-N-(1-hydroxypentan-3-yl)pyridine-2-carboxamide
SMILESCCC(CCO)NC(=O)c1cc(OCC(F)F)ccn1
InChIInChI=1S/C13H18F2N2O3/c1-2-9(4-6-18)17-13(19)11-7-10(3-5-16-11)20-8-12(14)15/h3,5,7,9,12,18H,2,4,6,8H2,1H3,(H,17,19)
InChIKeyMGQMZWNYOWPTCJ-UHFFFAOYSA-N
XLogP1.62
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2-difluoroethoxy)-N-(2-hydroxy-1-phenylethyl)pyridine-2-carboxamide
CID 110001224
4-(2,2-difluoroethoxy)-N-(2-hydroxy-3-methylbutyl)pyridine-2-carboxamide
CID 110000225
4-(2,2-difluoroethoxy)-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-2-carboxamide
CID 110000032
4-(2,2-difluoroethoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyridine-2-carboxamide
CID 110000428
4-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]pyridine-2-carboxamide
CID 110000173
5-chloro-N-(1-hydroxypentan-3-yl)pyrazine-2-carboxamide
CID 107258073
N-(1-hydroxypentan-3-yl)-4-propoxybenzamide
CID 115767380
3-fluoro-N-(1-hydroxypentan-3-yl)-4-methoxybenzamide
CID 109478916
4-(2,2-difluoroethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-carboxamide
CID 99821091
4-methoxy-N-(1-pyridin-4-ylpropyl)pyridine-2-carboxamide
CID 91763496
N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 43392707
N-(1-hydroxypentan-3-yl)-6-methoxypyridine-3-carboxamide
CID 115767344

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-N-(1-hydroxypentan-3-yl)pyridine-2-carboxamide?
The IUPAC name of 4-(2,2-difluoroethoxy)-N-(1-hydroxypentan-3-yl)pyridine-2-carboxamide (CID 110000328) is 4-(2,2-difluoroethoxy)-N-(1-hydroxypentan-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-N-(1-hydroxypentan-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-(2,2-difluoroethoxy)-N-(1-hydroxypentan-3-yl)pyridine-2-carboxamide is CCC(CCO)NC(=O)c1cc(OCC(F)F)ccn1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-N-(1-hydroxypentan-3-yl)pyridine-2-carboxamide?
The InChIKey is MGQMZWNYOWPTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3/c1-2-9(4-6-18)17-13(19)11-7-10(3-5-16-11)20-8-12(14)15/h3,5,7,9,12,18H,2,4,6,8H2,1H3,(H,17,19).
What are the key properties of 4-(2,2-difluoroethoxy)-N-(1-hydroxypentan-3-yl)pyridine-2-carboxamide?
4-(2,2-difluoroethoxy)-N-(1-hydroxypentan-3-yl)pyridine-2-carboxamide has a molecular weight of 288.29 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-N-(1-hydroxypentan-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 110000328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).