4-(2,2-difluoroethoxy)-N-(2-hydroxy-1-phenylethyl)pyridine-2-carboxamide

C16H16F2N2O3 — CID 110001224

IUPAC4-(2,2-difluoroethoxy)-N-(2-hydroxy-1-phenylethyl)pyridine-2-carboxamide
SMILESO=C(NC(CO)c1ccccc1)c1cc(OCC(F)F)ccn1
InChIInChI=1S/C16H16F2N2O3/c17-15(18)10-23-12-6-7-19-13(8-12)16(22)20-14(9-21)11-4-2-1-3-5-11/h1-8,14-15,21H,9-10H2,(H,20,22)
InChIKeyPGSJHRUYDRXFBA-UHFFFAOYSA-N
MW322.31 g/mol
LogP2.19
Rot. Bonds7

About 4-(2,2-difluoroethoxy)-N-(2-hydroxy-1-phenylethyl)pyridine-2-carboxamide

4-(2,2-difluoroethoxy)-N-(2-hydroxy-1-phenylethyl)pyridine-2-carboxamide (PubChem CID 110001224) has the molecular formula C16H16F2N2O3 and a molecular weight of 322.31 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-N-(2-hydroxy-1-phenylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-N-(2-hydroxy-1-phenylethyl)pyridine-2-carboxamide
PubChem CID110001224
Molecular FormulaC16H16F2N2O3
Molecular Weight322.31 g/mol
Exact Mass322.11
IUPAC Name4-(2,2-difluoroethoxy)-N-(2-hydroxy-1-phenylethyl)pyridine-2-carboxamide
SMILESO=C(NC(CO)c1ccccc1)c1cc(OCC(F)F)ccn1
InChIInChI=1S/C16H16F2N2O3/c17-15(18)10-23-12-6-7-19-13(8-12)16(22)20-14(9-21)11-4-2-1-3-5-11/h1-8,14-15,21H,9-10H2,(H,20,22)
InChIKeyPGSJHRUYDRXFBA-UHFFFAOYSA-N
XLogP2.19
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2,2-difluoroethoxy)-N-(2-hydroxy-1-phenylethyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,2-difluoroethoxy)-N-(1-hydroxypentan-3-yl)pyridine-2-carboxamide
CID 110000328
2-fluoro-N-(2-hydroxy-1-phenylethyl)pyridine-4-carboxamide
CID 63183562
4-(2,2-difluoroethoxy)-N-(2-hydroxy-3-methylbutyl)pyridine-2-carboxamide
CID 110000225
4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pyridine-2-carboxamide
CID 110004659
N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 95027054
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
4-(2,2-difluoroethoxy)-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-2-carboxamide
CID 110000032
3-(difluoromethoxy)-N-(2-hydroxy-1-phenylethyl)benzamide
CID 110931053
2-(aminomethyl)-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
CID 104860738
3,4,5-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103772740
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide
CID 113356455

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-N-(2-hydroxy-1-phenylethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(2,2-difluoroethoxy)-N-(2-hydroxy-1-phenylethyl)pyridine-2-carboxamide (CID 110001224) is 4-(2,2-difluoroethoxy)-N-(2-hydroxy-1-phenylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-N-(2-hydroxy-1-phenylethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(2,2-difluoroethoxy)-N-(2-hydroxy-1-phenylethyl)pyridine-2-carboxamide is O=C(NC(CO)c1ccccc1)c1cc(OCC(F)F)ccn1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-N-(2-hydroxy-1-phenylethyl)pyridine-2-carboxamide?
The InChIKey is PGSJHRUYDRXFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O3/c17-15(18)10-23-12-6-7-19-13(8-12)16(22)20-14(9-21)11-4-2-1-3-5-11/h1-8,14-15,21H,9-10H2,(H,20,22).
What are the key properties of 4-(2,2-difluoroethoxy)-N-(2-hydroxy-1-phenylethyl)pyridine-2-carboxamide?
4-(2,2-difluoroethoxy)-N-(2-hydroxy-1-phenylethyl)pyridine-2-carboxamide has a molecular weight of 322.31 g/mol, XLogP of 2.19, 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-1-phenylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 110001224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).