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

C19H13ClF3N3O — CID 1263788

IUPACN-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cccnc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H13ClF3N3O/c20-13-6-8-14(9-7-13)26-18(27)16-5-2-10-24-17(16)25-15-4-1-3-12(11-15)19(21,22)23/h1-11H,(H,24,25)(H,26,27)
InChIKeyVIIGWLSOTUPDSY-UHFFFAOYSA-N
MW391.78 g/mol
LogP5.75
Rot. Bonds4

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

N-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 1263788) has the molecular formula C19H13ClF3N3O and a molecular weight of 391.78 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
PubChem CID1263788
Molecular FormulaC19H13ClF3N3O
Molecular Weight391.78 g/mol
Exact Mass391.07
IUPAC NameN-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cccnc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H13ClF3N3O/c20-13-6-8-14(9-7-13)26-18(27)16-5-2-10-24-17(16)25-15-4-1-3-12(11-15)19(21,22)23/h1-11H,(H,24,25)(H,26,27)
InChIKeyVIIGWLSOTUPDSY-UHFFFAOYSA-N
XLogP5.75
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.78
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 23632330
N-[(E)-(3-chlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 71722152
N-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 126739275
N-[4-(9-tricyclo[5.3.1.04,9]undecanyl)phenyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 155134137
N-(4-bromophenyl)-2-(3-chloroanilino)pyridine-3-carboxamide
CID 23632629
N-(4-chlorophenyl)-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109292840
N-(3-chlorophenyl)-2-(4-fluoroanilino)pyridine-3-carboxamide
CID 23632835
N-(4-chlorophenyl)-2-(2,6-dimethylanilino)pyridine-3-carboxamide
CID 23632609
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 55932397
N'-(1H-pyrrole-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide
CID 78813930
N-(4-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62167597
2-(3-bromoanilino)-N-(4-bromophenyl)pyridine-3-carboxamide
CID 23632626

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 1263788) is N-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cccnc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The InChIKey is VIIGWLSOTUPDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N3O/c20-13-6-8-14(9-7-13)26-18(27)16-5-2-10-24-17(16)25-15-4-1-3-12(11-15)19(21,22)23/h1-11H,(H,24,25)(H,26,27).
What are the key properties of N-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
N-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide has a molecular weight of 391.78 g/mol, XLogP of 5.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 1263788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).