2-anilino-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide

C19H14F3N3O — CID 109176138

IUPAC2-anilino-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccnc(Nc2ccccc2)c1
InChIInChI=1S/C19H14F3N3O/c20-19(21,22)14-5-4-8-16(12-14)25-18(26)13-9-10-23-17(11-13)24-15-6-2-1-3-7-15/h1-12H,(H,23,24)(H,25,26)
InChIKeyUMZIQKZLLTWCFW-UHFFFAOYSA-N
MW357.34 g/mol
LogP5.10
Rot. Bonds4

About 2-anilino-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide

2-anilino-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide (PubChem CID 109176138) has the molecular formula C19H14F3N3O and a molecular weight of 357.34 g/mol. Its IUPAC name is 2-anilino-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-anilino-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
PubChem CID109176138
Molecular FormulaC19H14F3N3O
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC Name2-anilino-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccnc(Nc2ccccc2)c1
InChIInChI=1S/C19H14F3N3O/c20-19(21,22)14-5-4-8-16(12-14)25-18(26)13-9-10-23-17(11-13)24-15-6-2-1-3-7-15/h1-12H,(H,23,24)(H,25,26)
InChIKeyUMZIQKZLLTWCFW-UHFFFAOYSA-N
XLogP5.10
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.34
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109177254
N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109178460
2-(benzylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109169562
N-(2-phenylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109172217
5-anilino-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109289576
2-N-(3-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109091236
N-(3-fluorophenyl)-2-[2-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109178420
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109166817
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
N-(3-acetamidophenyl)-2-(4-acetylanilino)pyridine-4-carboxamide
CID 109178526
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109093176

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-anilino-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide (CID 109176138) is 2-anilino-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-anilino-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-anilino-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1ccnc(Nc2ccccc2)c1.
What is the InChIKey of 2-anilino-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The InChIKey is UMZIQKZLLTWCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O/c20-19(21,22)14-5-4-8-16(12-14)25-18(26)13-9-10-23-17(11-13)24-15-6-2-1-3-7-15/h1-12H,(H,23,24)(H,25,26).
What are the key properties of 2-anilino-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
2-anilino-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide has a molecular weight of 357.34 g/mol, XLogP of 5.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 109176138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).