4-(3,4-difluoroanilino)-N-ethyl-N-phenylpyridine-2-carboxamide

C20H17F2N3O — CID 109220308

IUPAC4-(3,4-difluoroanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
SMILESCCN(C(=O)c1cc(Nc2ccc(F)c(F)c2)ccn1)c1ccccc1
InChIInChI=1S/C20H17F2N3O/c1-2-25(16-6-4-3-5-7-16)20(26)19-13-15(10-11-23-19)24-14-8-9-17(21)18(22)12-14/h3-13H,2H2,1H3,(H,23,24)
InChIKeyMUCDMBVFADPORY-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.77
Rot. Bonds5

About 4-(3,4-difluoroanilino)-N-ethyl-N-phenylpyridine-2-carboxamide

4-(3,4-difluoroanilino)-N-ethyl-N-phenylpyridine-2-carboxamide (PubChem CID 109220308) has the molecular formula C20H17F2N3O and a molecular weight of 353.37 g/mol. Its IUPAC name is 4-(3,4-difluoroanilino)-N-ethyl-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3,4-difluoroanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
PubChem CID109220308
Molecular FormulaC20H17F2N3O
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name4-(3,4-difluoroanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
SMILESCCN(C(=O)c1cc(Nc2ccc(F)c(F)c2)ccn1)c1ccccc1
InChIInChI=1S/C20H17F2N3O/c1-2-25(16-6-4-3-5-7-16)20(26)19-13-15(10-11-23-19)24-14-8-9-17(21)18(22)12-14/h3-13H,2H2,1H3,(H,23,24)
InChIKeyMUCDMBVFADPORY-UHFFFAOYSA-N
XLogP4.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3,4-difluoroanilino)-N-ethyl-N-phenylpyridine-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

Related Compounds

4-anilino-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109218846
4-N-(3,4-difluorophenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109092396
N-ethyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213681
methyl 2-[[2-[ethyl(phenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109220287
N-benzyl-4-(3,4-difluoroanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109217237
4-(3-chloro-4-fluoroanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109219361
4-(2,4-dimethoxyanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109220278
N-ethyl-4-(methylamino)-N-pyridin-4-ylpyridine-2-carboxamide
CID 106937446
2-N-ethyl-4-N-(3-fluorophenyl)-2-N-phenylpyridine-2,4-dicarboxamide
CID 109092385
4-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214014
4-N-(3,4-dimethylphenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091876
2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086521

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluoroanilino)-N-ethyl-N-phenylpyridine-2-carboxamide?
The IUPAC name of 4-(3,4-difluoroanilino)-N-ethyl-N-phenylpyridine-2-carboxamide (CID 109220308) is 4-(3,4-difluoroanilino)-N-ethyl-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for 4-(3,4-difluoroanilino)-N-ethyl-N-phenylpyridine-2-carboxamide?
The canonical SMILES for 4-(3,4-difluoroanilino)-N-ethyl-N-phenylpyridine-2-carboxamide is CCN(C(=O)c1cc(Nc2ccc(F)c(F)c2)ccn1)c1ccccc1.
What is the InChIKey of 4-(3,4-difluoroanilino)-N-ethyl-N-phenylpyridine-2-carboxamide?
The InChIKey is MUCDMBVFADPORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O/c1-2-25(16-6-4-3-5-7-16)20(26)19-13-15(10-11-23-19)24-14-8-9-17(21)18(22)12-14/h3-13H,2H2,1H3,(H,23,24).
What are the key properties of 4-(3,4-difluoroanilino)-N-ethyl-N-phenylpyridine-2-carboxamide?
4-(3,4-difluoroanilino)-N-ethyl-N-phenylpyridine-2-carboxamide has a molecular weight of 353.37 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluoroanilino)-N-ethyl-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 109220308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).