4-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]pyridine-2-carboxamide

C15H20F2N2O3 — CID 110000173

IUPAC4-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]pyridine-2-carboxamide
SMILESCC1(CO)CCCC1NC(=O)c1cc(OCC(F)F)ccn1
InChIInChI=1S/C15H20F2N2O3/c1-15(9-20)5-2-3-12(15)19-14(21)11-7-10(4-6-18-11)22-8-13(16)17/h4,6-7,12-13,20H,2-3,5,8-9H2,1H3,(H,19,21)
InChIKeyKXVACHCHRPKZDU-UHFFFAOYSA-N
MW314.33 g/mol
LogP2.01
Rot. Bonds6

About 4-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]pyridine-2-carboxamide

4-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]pyridine-2-carboxamide (PubChem CID 110000173) has the molecular formula C15H20F2N2O3 and a molecular weight of 314.33 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]pyridine-2-carboxamide
PubChem CID110000173
Molecular FormulaC15H20F2N2O3
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Name4-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]pyridine-2-carboxamide
SMILESCC1(CO)CCCC1NC(=O)c1cc(OCC(F)F)ccn1
InChIInChI=1S/C15H20F2N2O3/c1-15(9-20)5-2-3-12(15)19-14(21)11-7-10(4-6-18-11)22-8-13(16)17/h4,6-7,12-13,20H,2-3,5,8-9H2,1H3,(H,19,21)
InChIKeyKXVACHCHRPKZDU-UHFFFAOYSA-N
XLogP2.01
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]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

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]pyridine-2-carboxamide?
The IUPAC name of 4-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]pyridine-2-carboxamide (CID 110000173) is 4-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]pyridine-2-carboxamide is CC1(CO)CCCC1NC(=O)c1cc(OCC(F)F)ccn1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]pyridine-2-carboxamide?
The InChIKey is KXVACHCHRPKZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3/c1-15(9-20)5-2-3-12(15)19-14(21)11-7-10(4-6-18-11)22-8-13(16)17/h4,6-7,12-13,20H,2-3,5,8-9H2,1H3,(H,19,21).
What are the key properties of 4-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]pyridine-2-carboxamide?
4-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]pyridine-2-carboxamide has a molecular weight of 314.33 g/mol, XLogP of 2.01, 6 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-(hydroxymethyl)-2-methylcyclopentyl]pyridine-2-carboxamide is sourced from PubChem (CID 110000173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).