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

C21H19F2N3O — CID 109243776

IUPAC5-(3,4-difluoroanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cncc(Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C21H19F2N3O/c1-13(2)17-5-3-4-6-20(17)26-21(27)14-9-16(12-24-11-14)25-15-7-8-18(22)19(23)10-15/h3-13,25H,1-2H3,(H,26,27)
InChIKeyLTHDFINVXOXFSD-UHFFFAOYSA-N
MW367.40 g/mol
LogP5.48
Rot. Bonds5

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

5-(3,4-difluoroanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide (PubChem CID 109243776) has the molecular formula C21H19F2N3O and a molecular weight of 367.40 g/mol. Its IUPAC name is 5-(3,4-difluoroanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-difluoroanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
PubChem CID109243776
Molecular FormulaC21H19F2N3O
Molecular Weight367.40 g/mol
Exact Mass367.15
IUPAC Name5-(3,4-difluoroanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cncc(Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C21H19F2N3O/c1-13(2)17-5-3-4-6-20(17)26-21(27)14-9-16(12-24-11-14)25-15-7-8-18(22)19(23)10-15/h3-13,25H,1-2H3,(H,26,27)
InChIKeyLTHDFINVXOXFSD-UHFFFAOYSA-N
XLogP5.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.40
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-acetylanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109243758
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109243767
N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109243797
5-(3,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109242833
5-[(4-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109234113
5-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109225408
4-N-(3,4-difluorophenyl)-2-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109092464
N-(2-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109241657
3-N-(4-methoxyphenyl)-5-N-(2-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109108597
3,4-difluoro-N-(2-propan-2-ylphenyl)aniline
CID 82536586
5-[4-(dimethylamino)anilino]-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109244125
5-(2,6-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 109246460

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluoroanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3,4-difluoroanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide (CID 109243776) is 5-(3,4-difluoroanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3,4-difluoroanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3,4-difluoroanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide is CC(C)c1ccccc1NC(=O)c1cncc(Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of 5-(3,4-difluoroanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide?
The InChIKey is LTHDFINVXOXFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O/c1-13(2)17-5-3-4-6-20(17)26-21(27)14-9-16(12-24-11-14)25-15-7-8-18(22)19(23)10-15/h3-13,25H,1-2H3,(H,26,27).
What are the key properties of 5-(3,4-difluoroanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide?
5-(3,4-difluoroanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide has a molecular weight of 367.40 g/mol, XLogP of 5.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluoroanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109243776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).