3,5-difluoro-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)pyridine-2-carboxamide

C16H14F2N2O2 — CID 138992830

IUPAC3,5-difluoro-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)pyridine-2-carboxamide
SMILESO=C(NC1CCc2ccccc2OC1)c1ncc(F)cc1F
InChIInChI=1S/C16H14F2N2O2/c17-11-7-13(18)15(19-8-11)16(21)20-12-6-5-10-3-1-2-4-14(10)22-9-12/h1-4,7-8,12H,5-6,9H2,(H,20,21)
InChIKeyXYAHAASHGDBAFO-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.48
Rot. Bonds2

About 3,5-difluoro-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)pyridine-2-carboxamide

3,5-difluoro-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)pyridine-2-carboxamide (PubChem CID 138992830) has the molecular formula C16H14F2N2O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is 3,5-difluoro-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,5-difluoro-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)pyridine-2-carboxamide
PubChem CID138992830
Molecular FormulaC16H14F2N2O2
Molecular Weight304.30 g/mol
Exact Mass304.10
IUPAC Name3,5-difluoro-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)pyridine-2-carboxamide
SMILESO=C(NC1CCc2ccccc2OC1)c1ncc(F)cc1F
InChIInChI=1S/C16H14F2N2O2/c17-11-7-13(18)15(19-8-11)16(21)20-12-6-5-10-3-1-2-4-14(10)22-9-12/h1-4,7-8,12H,5-6,9H2,(H,20,21)
InChIKeyXYAHAASHGDBAFO-UHFFFAOYSA-N
XLogP2.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-difluoro-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)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 3,5-difluoro-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)pyridine-2-carboxamide?
The IUPAC name of 3,5-difluoro-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)pyridine-2-carboxamide (CID 138992830) is 3,5-difluoro-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3,5-difluoro-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 3,5-difluoro-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)pyridine-2-carboxamide is O=C(NC1CCc2ccccc2OC1)c1ncc(F)cc1F.
What is the InChIKey of 3,5-difluoro-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)pyridine-2-carboxamide?
The InChIKey is XYAHAASHGDBAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O2/c17-11-7-13(18)15(19-8-11)16(21)20-12-6-5-10-3-1-2-4-14(10)22-9-12/h1-4,7-8,12H,5-6,9H2,(H,20,21).
What are the key properties of 3,5-difluoro-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)pyridine-2-carboxamide?
3,5-difluoro-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)pyridine-2-carboxamide has a molecular weight of 304.30 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 138992830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).