5-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide

C20H17F2N3O2 — CID 109200045

IUPAC5-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(Nc3ccc(F)c(F)c3)cn2)cc1
InChIInChI=1S/C20H17F2N3O2/c1-2-27-16-7-3-13(4-8-16)25-20(26)19-10-6-15(12-23-19)24-14-5-9-17(21)18(22)11-14/h3-12,24H,2H2,1H3,(H,25,26)
InChIKeyCQFYRFYTLORUDM-UHFFFAOYSA-N
MW369.37 g/mol
LogP4.75
Rot. Bonds6

About 5-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide

5-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide (PubChem CID 109200045) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is 5-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
PubChem CID109200045
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC Name5-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(Nc3ccc(F)c(F)c3)cn2)cc1
InChIInChI=1S/C20H17F2N3O2/c1-2-27-16-7-3-13(4-8-16)25-20(26)19-10-6-15(12-23-19)24-14-5-9-17(21)18(22)11-14/h3-12,24H,2H2,1H3,(H,25,26)
InChIKeyCQFYRFYTLORUDM-UHFFFAOYSA-N
XLogP4.75
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[5-(3,4-difluoroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109200789
5-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 109200977
6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359090
N-(3,4-difluorophenyl)-5-(4-ethylanilino)pyridine-2-carboxamide
CID 109198480
6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109164202
5-(3,4-difluoroanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199817
N-(4-ethoxyphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639683
5-(3,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190451
2-N,5-N-bis(4-ethoxyphenyl)pyridine-2,5-dicarboxamide
CID 3252781
N-(4-ethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109192445
N-(2,6-dimethylphenyl)-5-(4-ethoxyanilino)pyridine-2-carboxamide
CID 109198225
6-[(4-ethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427210

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide (CID 109200045) is 5-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide is CCOc1ccc(NC(=O)c2ccc(Nc3ccc(F)c(F)c3)cn2)cc1.
What is the InChIKey of 5-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide?
The InChIKey is CQFYRFYTLORUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c1-2-27-16-7-3-13(4-8-16)25-20(26)19-10-6-15(12-23-19)24-14-5-9-17(21)18(22)11-14/h3-12,24H,2H2,1H3,(H,25,26).
What are the key properties of 5-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide?
5-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide has a molecular weight of 369.37 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109200045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).