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

C14H20F2N2O3 — CID 110000032

IUPAC4-(2,2-difluoroethoxy)-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-2-carboxamide
SMILESCC(C)C(C)(O)CNC(=O)c1cc(OCC(F)F)ccn1
InChIInChI=1S/C14H20F2N2O3/c1-9(2)14(3,20)8-18-13(19)11-6-10(4-5-17-11)21-7-12(15)16/h4-6,9,12,20H,7-8H2,1-3H3,(H,18,19)
InChIKeyCBFNCQQTCUGCOO-UHFFFAOYSA-N
MW302.32 g/mol
LogP1.86
Rot. Bonds7

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

4-(2,2-difluoroethoxy)-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-2-carboxamide (PubChem CID 110000032) has the molecular formula C14H20F2N2O3 and a molecular weight of 302.32 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-2-carboxamide
PubChem CID110000032
Molecular FormulaC14H20F2N2O3
Molecular Weight302.32 g/mol
Exact Mass302.14
IUPAC Name4-(2,2-difluoroethoxy)-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-2-carboxamide
SMILESCC(C)C(C)(O)CNC(=O)c1cc(OCC(F)F)ccn1
InChIInChI=1S/C14H20F2N2O3/c1-9(2)14(3,20)8-18-13(19)11-6-10(4-5-17-11)21-7-12(15)16/h4-6,9,12,20H,7-8H2,1-3H3,(H,18,19)
InChIKeyCBFNCQQTCUGCOO-UHFFFAOYSA-N
XLogP1.86
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 51.86
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-3-methylbutyl)pyridine-2-carboxamide
CID 110000225
4-(2,2-difluoroethoxy)-N-(1-hydroxypentan-3-yl)pyridine-2-carboxamide
CID 110000328
2-chloro-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-4-carboxamide
CID 111483981
4-(2,2-difluoroethoxy)-N-(2-hydroxy-1-phenylethyl)pyridine-2-carboxamide
CID 110001224
3-ethoxy-N-(2-hydroxy-2,3-dimethylbutyl)benzamide
CID 111484140
4-(2,2-difluoroethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-carboxamide
CID 99821091
N-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 111484329
4-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]pyridine-2-carboxamide
CID 110000173
N-(2-hydroxy-2,3-dimethylbutyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 111483720
4-(2,2-difluoroethoxy)-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 126775819
N-(2-hydroxy-2,3-dimethylbutyl)-4-[(2-methylpropan-2-yl)oxy]benzamide
CID 111859470

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-2-carboxamide?
The IUPAC name of 4-(2,2-difluoroethoxy)-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-2-carboxamide (CID 110000032) is 4-(2,2-difluoroethoxy)-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(2,2-difluoroethoxy)-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-2-carboxamide is CC(C)C(C)(O)CNC(=O)c1cc(OCC(F)F)ccn1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-2-carboxamide?
The InChIKey is CBFNCQQTCUGCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O3/c1-9(2)14(3,20)8-18-13(19)11-6-10(4-5-17-11)21-7-12(15)16/h4-6,9,12,20H,7-8H2,1-3H3,(H,18,19).
What are the key properties of 4-(2,2-difluoroethoxy)-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-2-carboxamide?
4-(2,2-difluoroethoxy)-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-2-carboxamide has a molecular weight of 302.32 g/mol, XLogP of 1.86, 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-2,3-dimethylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 110000032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).