6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide

C20H17F2N3O2 — CID 109164202

IUPAC6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(Nc3ccc(F)c(F)c3)nc2)cc1
InChIInChI=1S/C20H17F2N3O2/c1-2-27-16-7-4-14(5-8-16)25-20(26)13-3-10-19(23-12-13)24-15-6-9-17(21)18(22)11-15/h3-12H,2H2,1H3,(H,23,24)(H,25,26)
InChIKeyOSUKWZGUCAIJNI-UHFFFAOYSA-N
MW369.37 g/mol
LogP4.75
Rot. Bonds6

About 6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide

6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide (PubChem CID 109164202) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is 6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
PubChem CID109164202
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC Name6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(Nc3ccc(F)c(F)c3)nc2)cc1
InChIInChI=1S/C20H17F2N3O2/c1-2-27-16-7-4-14(5-8-16)25-20(26)13-3-10-19(23-12-13)24-15-6-9-17(21)18(22)11-15/h3-12H,2H2,1H3,(H,23,24)(H,25,26)
InChIKeyOSUKWZGUCAIJNI-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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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide (CID 109164202) is 6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide is CCOc1ccc(NC(=O)c2ccc(Nc3ccc(F)c(F)c3)nc2)cc1.
What is the InChIKey of 6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is OSUKWZGUCAIJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c1-2-27-16-7-4-14(5-8-16)25-20(26)13-3-10-19(23-12-13)24-15-6-9-17(21)18(22)11-15/h3-12H,2H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide?
6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-3-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 6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109164202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).