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

C16H24F2N2O3 — CID 110000428

IUPAC4-(2,2-difluoroethoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyridine-2-carboxamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)c1cc(OCC(F)F)ccn1
InChIInChI=1S/C16H24F2N2O3/c1-10(2)14(21)16(3,4)9-20-15(22)12-7-11(5-6-19-12)23-8-13(17)18/h5-7,10,13-14,21H,8-9H2,1-4H3,(H,20,22)
InChIKeyQLUVADNQGRLCHS-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.50
Rot. Bonds8

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

4-(2,2-difluoroethoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyridine-2-carboxamide (PubChem CID 110000428) has the molecular formula C16H24F2N2O3 and a molecular weight of 330.38 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyridine-2-carboxamide
PubChem CID110000428
Molecular FormulaC16H24F2N2O3
Molecular Weight330.38 g/mol
Exact Mass330.18
IUPAC Name4-(2,2-difluoroethoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyridine-2-carboxamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)c1cc(OCC(F)F)ccn1
InChIInChI=1S/C16H24F2N2O3/c1-10(2)14(21)16(3,4)9-20-15(22)12-7-11(5-6-19-12)23-8-13(17)18/h5-7,10,13-14,21H,8-9H2,1-4H3,(H,20,22)
InChIKeyQLUVADNQGRLCHS-UHFFFAOYSA-N
XLogP2.50
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2-difluoroethoxy)-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-2-carboxamide
CID 110000032
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
4-(2,2-difluoroethoxy)-N-(2-hydroxy-1-phenylethyl)pyridine-2-carboxamide
CID 110001224
3,5-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380870
2-chloro-N-(3-hydroxy-2,2,4-trimethylpentyl)-5-methylsulfanylbenzamide
CID 109380612
4-(2,2-difluoroethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-carboxamide
CID 99821091
5-(furan-2-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrazole-3-carboxamide
CID 109380983
4-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]pyridine-2-carboxamide
CID 110000173
N-(3-hydroxy-2,2,4-trimethylpentyl)-5-methyl-1,3-oxazole-4-carboxamide
CID 109381177
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-methylsulfonylpyridine-2-carboxamide
CID 122152979
N-(3-hydroxy-2,2,4-trimethylpentyl)-5-propan-2-yloxypyridine-3-carboxamide
CID 109380782

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyridine-2-carboxamide?
The IUPAC name of 4-(2,2-difluoroethoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyridine-2-carboxamide (CID 110000428) is 4-(2,2-difluoroethoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(2,2-difluoroethoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyridine-2-carboxamide is CC(C)C(O)C(C)(C)CNC(=O)c1cc(OCC(F)F)ccn1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyridine-2-carboxamide?
The InChIKey is QLUVADNQGRLCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O3/c1-10(2)14(21)16(3,4)9-20-15(22)12-7-11(5-6-19-12)23-8-13(17)18/h5-7,10,13-14,21H,8-9H2,1-4H3,(H,20,22).
What are the key properties of 4-(2,2-difluoroethoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyridine-2-carboxamide?
4-(2,2-difluoroethoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyridine-2-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 2.50, 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-(3-hydroxy-2,2,4-trimethylpentyl)pyridine-2-carboxamide is sourced from PubChem (CID 110000428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).