N-(3,4-difluorophenyl)-2-ethoxypyridine-3-carboxamide

C14H12F2N2O2 — CID 2367229

IUPACN-(3,4-difluorophenyl)-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H12F2N2O2/c1-2-20-14-10(4-3-7-17-14)13(19)18-9-5-6-11(15)12(16)8-9/h3-8H,2H2,1H3,(H,18,19)
InChIKeyLSAMSKZFSOOPQF-UHFFFAOYSA-N
MW278.26 g/mol
LogP3.01
Rot. Bonds4

About N-(3,4-difluorophenyl)-2-ethoxypyridine-3-carboxamide

N-(3,4-difluorophenyl)-2-ethoxypyridine-3-carboxamide (PubChem CID 2367229) has the molecular formula C14H12F2N2O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-ethoxypyridine-3-carboxamide
PubChem CID2367229
Molecular FormulaC14H12F2N2O2
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC NameN-(3,4-difluorophenyl)-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H12F2N2O2/c1-2-20-14-10(4-3-7-17-14)13(19)18-9-5-6-11(15)12(16)8-9/h3-8H,2H2,1H3,(H,18,19)
InChIKeyLSAMSKZFSOOPQF-UHFFFAOYSA-N
XLogP3.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-ethoxypyridine-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-ethoxypyridine-3-carboxamide (CID 2367229) is N-(3,4-difluorophenyl)-2-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-ethoxypyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-ethoxypyridine-3-carboxamide?
The InChIKey is LSAMSKZFSOOPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2/c1-2-20-14-10(4-3-7-17-14)13(19)18-9-5-6-11(15)12(16)8-9/h3-8H,2H2,1H3,(H,18,19).
What are the key properties of N-(3,4-difluorophenyl)-2-ethoxypyridine-3-carboxamide?
N-(3,4-difluorophenyl)-2-ethoxypyridine-3-carboxamide has a molecular weight of 278.26 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 2367229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).