3-(2,2-difluoroethoxy)-N-(2-hydroxy-3-phenylpropyl)pyridine-2-carboxamide

C17H18F2N2O3 — CID 111102564

IUPAC3-(2,2-difluoroethoxy)-N-(2-hydroxy-3-phenylpropyl)pyridine-2-carboxamide
SMILESO=C(NCC(O)Cc1ccccc1)c1ncccc1OCC(F)F
InChIInChI=1S/C17H18F2N2O3/c18-15(19)11-24-14-7-4-8-20-16(14)17(23)21-10-13(22)9-12-5-2-1-3-6-12/h1-8,13,15,22H,9-11H2,(H,21,23)
InChIKeyNXJFJFAWTJRUJM-UHFFFAOYSA-N
MW336.34 g/mol
LogP2.06
Rot. Bonds8

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

3-(2,2-difluoroethoxy)-N-(2-hydroxy-3-phenylpropyl)pyridine-2-carboxamide (PubChem CID 111102564) has the molecular formula C17H18F2N2O3 and a molecular weight of 336.34 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(2-hydroxy-3-phenylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(2-hydroxy-3-phenylpropyl)pyridine-2-carboxamide
PubChem CID111102564
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name3-(2,2-difluoroethoxy)-N-(2-hydroxy-3-phenylpropyl)pyridine-2-carboxamide
SMILESO=C(NCC(O)Cc1ccccc1)c1ncccc1OCC(F)F
InChIInChI=1S/C17H18F2N2O3/c18-15(19)11-24-14-7-4-8-20-16(14)17(23)21-10-13(22)9-12-5-2-1-3-6-12/h1-8,13,15,22H,9-11H2,(H,21,23)
InChIKeyNXJFJFAWTJRUJM-UHFFFAOYSA-N
XLogP2.06
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-(2-hydroxy-3-phenylpropyl)pyridine-2-carboxamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(2-hydroxy-3-phenylpropyl)pyridine-2-carboxamide (CID 111102564) is 3-(2,2-difluoroethoxy)-N-(2-hydroxy-3-phenylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(2-hydroxy-3-phenylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(2-hydroxy-3-phenylpropyl)pyridine-2-carboxamide is O=C(NCC(O)Cc1ccccc1)c1ncccc1OCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(2-hydroxy-3-phenylpropyl)pyridine-2-carboxamide?
The InChIKey is NXJFJFAWTJRUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3/c18-15(19)11-24-14-7-4-8-20-16(14)17(23)21-10-13(22)9-12-5-2-1-3-6-12/h1-8,13,15,22H,9-11H2,(H,21,23).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(2-hydroxy-3-phenylpropyl)pyridine-2-carboxamide?
3-(2,2-difluoroethoxy)-N-(2-hydroxy-3-phenylpropyl)pyridine-2-carboxamide has a molecular weight of 336.34 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-(2-hydroxy-3-phenylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 111102564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).