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

C18H11F4N3O — CID 109164774

IUPACN-(3-fluorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(Nc2ccc(F)c(F)c2F)nc1
InChIInChI=1S/C18H11F4N3O/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)
InChIKeyRJTDPFKAHSLHNB-UHFFFAOYSA-N
MW361.30 g/mol
LogP4.63
Rot. Bonds4

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

N-(3-fluorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide (PubChem CID 109164774) has the molecular formula C18H11F4N3O and a molecular weight of 361.30 g/mol. Its IUPAC name is N-(3-fluorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
PubChem CID109164774
Molecular FormulaC18H11F4N3O
Molecular Weight361.30 g/mol
Exact Mass361.08
IUPAC NameN-(3-fluorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(Nc2ccc(F)c(F)c2F)nc1
InChIInChI=1S/C18H11F4N3O/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)
InChIKeyRJTDPFKAHSLHNB-UHFFFAOYSA-N
XLogP4.63
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.30
LogP ≤ 54.63
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-chlorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109163462
3,4-difluoro-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]benzamide
CID 113023072
6-(4-acetamidoanilino)-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109164557
methyl 4-chloro-3-[[5-[(3-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109164660
N-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-fluorobenzamide
CID 113021858
6-(quinolin-8-ylamino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109164848
2-(2,4-difluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109270367
N-[(2-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109156594
N-(3-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 24685793
5-N-(3-fluorophenyl)pyridine-2,5-dicarboxamide
CID 47460385
N-[2-(4-fluorophenyl)ethyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109158740
2-(4-chloroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109268903

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide (CID 109164774) is N-(3-fluorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide is O=C(Nc1cccc(F)c1)c1ccc(Nc2ccc(F)c(F)c2F)nc1.
What is the InChIKey of N-(3-fluorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide?
The InChIKey is RJTDPFKAHSLHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4N3O/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-fluorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide?
N-(3-fluorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide has a molecular weight of 361.30 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109164774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).