N-(3-chlorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide

C18H11ClF3N3O — CID 109163462

IUPACN-(3-chlorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(Nc2ccc(F)c(F)c2F)nc1
InChIInChI=1S/C18H11ClF3N3O/c19-11-2-1-3-12(8-11)24-18(26)10-4-7-15(23-9-10)25-14-6-5-13(20)16(21)17(14)22/h1-9H,(H,23,25)(H,24,26)
InChIKeyTVTQIYVJSRMOPY-UHFFFAOYSA-N
MW377.75 g/mol
LogP5.15
Rot. Bonds4

About N-(3-chlorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide

N-(3-chlorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide (PubChem CID 109163462) has the molecular formula C18H11ClF3N3O and a molecular weight of 377.75 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
PubChem CID109163462
Molecular FormulaC18H11ClF3N3O
Molecular Weight377.75 g/mol
Exact Mass377.05
IUPAC NameN-(3-chlorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(Nc2ccc(F)c(F)c2F)nc1
InChIInChI=1S/C18H11ClF3N3O/c19-11-2-1-3-12(8-11)24-18(26)10-4-7-15(23-9-10)25-14-6-5-13(20)16(21)17(14)22/h1-9H,(H,23,25)(H,24,26)
InChIKeyTVTQIYVJSRMOPY-UHFFFAOYSA-N
XLogP5.15
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.75
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109164774
3,4-difluoro-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]benzamide
CID 113023072
6-(4-acetylanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109163447
methyl 4-[[6-(3-chloroanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163419
N-(3-acetylphenyl)-6-(5-chloro-2-methylanilino)pyridine-3-carboxamide
CID 109163578
N-(3-chlorophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156937
6-(3,5-dichloroanilino)-N-phenylpyridine-3-carboxamide
CID 109162127
6-(quinolin-8-ylamino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109164848
N-(3-chlorophenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109163439
methyl 4-chloro-3-[[5-[(3-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109164660
N-(3-chloro-4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109293212
N-(3-chlorophenyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 108516579

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide (CID 109163462) is N-(3-chlorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide is O=C(Nc1cccc(Cl)c1)c1ccc(Nc2ccc(F)c(F)c2F)nc1.
What is the InChIKey of N-(3-chlorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide?
The InChIKey is TVTQIYVJSRMOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3N3O/c19-11-2-1-3-12(8-11)24-18(26)10-4-7-15(23-9-10)25-14-6-5-13(20)16(21)17(14)22/h1-9H,(H,23,25)(H,24,26).
What are the key properties of N-(3-chlorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide?
N-(3-chlorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide has a molecular weight of 377.75 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109163462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).