6-(2,2-difluoroethoxy)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-2-carboxamide

C18H18F2N2O4 — CID 126779362

IUPAC6-(2,2-difluoroethoxy)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(OC2CCOC2)cc1)c1cccc(OCC(F)F)n1
InChIInChI=1S/C18H18F2N2O4/c19-16(20)11-25-17-3-1-2-15(22-17)18(23)21-12-4-6-13(7-5-12)26-14-8-9-24-10-14/h1-7,14,16H,8-11H2,(H,21,23)
InChIKeyKUCCDONCADCAMX-UHFFFAOYSA-N
MW364.35 g/mol
LogP3.15
Rot. Bonds7

About 6-(2,2-difluoroethoxy)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-2-carboxamide

6-(2,2-difluoroethoxy)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-2-carboxamide (PubChem CID 126779362) has the molecular formula C18H18F2N2O4 and a molecular weight of 364.35 g/mol. Its IUPAC name is 6-(2,2-difluoroethoxy)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2,2-difluoroethoxy)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-2-carboxamide
PubChem CID126779362
Molecular FormulaC18H18F2N2O4
Molecular Weight364.35 g/mol
Exact Mass364.12
IUPAC Name6-(2,2-difluoroethoxy)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(OC2CCOC2)cc1)c1cccc(OCC(F)F)n1
InChIInChI=1S/C18H18F2N2O4/c19-16(20)11-25-17-3-1-2-15(22-17)18(23)21-12-4-6-13(7-5-12)26-14-8-9-24-10-14/h1-7,14,16H,8-11H2,(H,21,23)
InChIKeyKUCCDONCADCAMX-UHFFFAOYSA-N
XLogP3.15
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethoxy)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-(2,2-difluoroethoxy)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-2-carboxamide (CID 126779362) is 6-(2,2-difluoroethoxy)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(2,2-difluoroethoxy)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(2,2-difluoroethoxy)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(OC2CCOC2)cc1)c1cccc(OCC(F)F)n1.
What is the InChIKey of 6-(2,2-difluoroethoxy)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-2-carboxamide?
The InChIKey is KUCCDONCADCAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O4/c19-16(20)11-25-17-3-1-2-15(22-17)18(23)21-12-4-6-13(7-5-12)26-14-8-9-24-10-14/h1-7,14,16H,8-11H2,(H,21,23).
What are the key properties of 6-(2,2-difluoroethoxy)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-2-carboxamide?
6-(2,2-difluoroethoxy)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-2-carboxamide has a molecular weight of 364.35 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethoxy)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 126779362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).