4-(2,2-difluoroethoxy)-N-(2-hydroxy-3-methylbutyl)pyridine-2-carboxamide

C13H18F2N2O3 — CID 110000225

IUPAC4-(2,2-difluoroethoxy)-N-(2-hydroxy-3-methylbutyl)pyridine-2-carboxamide
SMILESCC(C)C(O)CNC(=O)c1cc(OCC(F)F)ccn1
InChIInChI=1S/C13H18F2N2O3/c1-8(2)11(18)6-17-13(19)10-5-9(3-4-16-10)20-7-12(14)15/h3-5,8,11-12,18H,6-7H2,1-2H3,(H,17,19)
InChIKeyFYZJFTWWDRAGGK-UHFFFAOYSA-N
MW288.29 g/mol
LogP1.47
Rot. Bonds7

About 4-(2,2-difluoroethoxy)-N-(2-hydroxy-3-methylbutyl)pyridine-2-carboxamide

4-(2,2-difluoroethoxy)-N-(2-hydroxy-3-methylbutyl)pyridine-2-carboxamide (PubChem CID 110000225) has the molecular formula C13H18F2N2O3 and a molecular weight of 288.29 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-N-(2-hydroxy-3-methylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-N-(2-hydroxy-3-methylbutyl)pyridine-2-carboxamide
PubChem CID110000225
Molecular FormulaC13H18F2N2O3
Molecular Weight288.29 g/mol
Exact Mass288.13
IUPAC Name4-(2,2-difluoroethoxy)-N-(2-hydroxy-3-methylbutyl)pyridine-2-carboxamide
SMILESCC(C)C(O)CNC(=O)c1cc(OCC(F)F)ccn1
InChIInChI=1S/C13H18F2N2O3/c1-8(2)11(18)6-17-13(19)10-5-9(3-4-16-10)20-7-12(14)15/h3-5,8,11-12,18H,6-7H2,1-2H3,(H,17,19)
InChIKeyFYZJFTWWDRAGGK-UHFFFAOYSA-N
XLogP1.47
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2-difluoroethoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyridine-2-carboxamide
CID 110000428
4-(2,2-difluoroethoxy)-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-2-carboxamide
CID 110000032
4-(2,2-difluoroethoxy)-N-(1-hydroxypentan-3-yl)pyridine-2-carboxamide
CID 110000328
4-(2,2-difluoroethoxy)-N-(2-hydroxy-1-phenylethyl)pyridine-2-carboxamide
CID 110001224
4-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]pyridine-2-carboxamide
CID 110000173
(1,3,5-trimethylpyrazol-4-yl) 4-(2,2-difluoroethoxy)pyridine-2-carboxylate
CID 75498672
4-(2,2-difluoroethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-carboxamide
CID 99821091
4-(2,2-difluoroethoxy)-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 126775819
4-(2,2-difluoroethoxy)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide
CID 167956341
6-fluoro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 115746110
N-(2-hydroxy-3-methylbutyl)pyridazine-4-carboxamide
CID 115769407
4-(3,4-diaminophenoxy)-N-ethylpyridine-2-carboxamide
CID 89129780

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-N-(2-hydroxy-3-methylbutyl)pyridine-2-carboxamide?
The IUPAC name of 4-(2,2-difluoroethoxy)-N-(2-hydroxy-3-methylbutyl)pyridine-2-carboxamide (CID 110000225) is 4-(2,2-difluoroethoxy)-N-(2-hydroxy-3-methylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-N-(2-hydroxy-3-methylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(2,2-difluoroethoxy)-N-(2-hydroxy-3-methylbutyl)pyridine-2-carboxamide is CC(C)C(O)CNC(=O)c1cc(OCC(F)F)ccn1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-N-(2-hydroxy-3-methylbutyl)pyridine-2-carboxamide?
The InChIKey is FYZJFTWWDRAGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3/c1-8(2)11(18)6-17-13(19)10-5-9(3-4-16-10)20-7-12(14)15/h3-5,8,11-12,18H,6-7H2,1-2H3,(H,17,19).
What are the key properties of 4-(2,2-difluoroethoxy)-N-(2-hydroxy-3-methylbutyl)pyridine-2-carboxamide?
4-(2,2-difluoroethoxy)-N-(2-hydroxy-3-methylbutyl)pyridine-2-carboxamide has a molecular weight of 288.29 g/mol, XLogP of 1.47, 7 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-(2-hydroxy-3-methylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 110000225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).