N-(3-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide

C14H12F2N2O2 — CID 105380453

IUPACN-(3-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide
SMILESCCOc1cccc(NC(=O)c2ccnc(F)c2F)c1
InChIInChI=1S/C14H12F2N2O2/c1-2-20-10-5-3-4-9(8-10)18-14(19)11-6-7-17-13(16)12(11)15/h3-8H,2H2,1H3,(H,18,19)
InChIKeyJLQXEXLYXYPVCR-UHFFFAOYSA-N
MW278.26 g/mol
LogP3.01
Rot. Bonds4

About N-(3-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide

N-(3-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide (PubChem CID 105380453) has the molecular formula C14H12F2N2O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide
PubChem CID105380453
Molecular FormulaC14H12F2N2O2
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC NameN-(3-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide
SMILESCCOc1cccc(NC(=O)c2ccnc(F)c2F)c1
InChIInChI=1S/C14H12F2N2O2/c1-2-20-10-5-3-4-9(8-10)18-14(19)11-6-7-17-13(16)12(11)15/h3-8H,2H2,1H3,(H,18,19)
InChIKeyJLQXEXLYXYPVCR-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(3-ethoxyphenyl)methyl]-2,3-difluoropyridine-4-carboxamide
CID 105380764
N-(2-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380223
N-(3-ethoxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 71459065
4-chloro-N-(3-ethoxyphenyl)-2-fluorobenzamide
CID 47311708
2-[(3-ethoxyphenyl)carbamoyl]benzoic acid
CID 17098079
2-(3-ethoxyanilino)-3-fluoropyridine-4-carboxylic acid
CID 105382099
N-(3-ethoxyphenyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81237400
2,3-difluoro-N-(3-nitrophenyl)pyridine-4-carboxamide
CID 105380312
N-(3-ethoxyphenyl)-2-hydrazinylbenzamide
CID 62247314
2-bromo-N-(3-ethoxyphenyl)-5-iodobenzamide
CID 103989258
N-[3-(2-aminoethoxy)phenyl]-2-fluoro-3-methylbenzamide
CID 81481242
2-amino-N-(3-ethoxyphenyl)-3-methylbenzamide
CID 61103168

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide?
The IUPAC name of N-(3-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide (CID 105380453) is N-(3-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-(3-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide?
The canonical SMILES for N-(3-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide is CCOc1cccc(NC(=O)c2ccnc(F)c2F)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide?
The InChIKey is JLQXEXLYXYPVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2/c1-2-20-10-5-3-4-9(8-10)18-14(19)11-6-7-17-13(16)12(11)15/h3-8H,2H2,1H3,(H,18,19).
What are the key properties of N-(3-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide?
N-(3-ethoxyphenyl)-2,3-difluoropyridine-4-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-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide is sourced from PubChem (CID 105380453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).