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

C19H13F4N3O — CID 109178460

IUPACN-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccnc(Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H13F4N3O/c20-14-2-1-3-16(11-14)26-18(27)12-8-9-24-17(10-12)25-15-6-4-13(5-7-15)19(21,22)23/h1-11H,(H,24,25)(H,26,27)
InChIKeyVKUMWYXFZXXKTC-UHFFFAOYSA-N
MW375.33 g/mol
LogP5.24
Rot. Bonds4

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

N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide (PubChem CID 109178460) has the molecular formula C19H13F4N3O and a molecular weight of 375.33 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide
PubChem CID109178460
Molecular FormulaC19H13F4N3O
Molecular Weight375.33 g/mol
Exact Mass375.10
IUPAC NameN-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccnc(Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H13F4N3O/c20-14-2-1-3-16(11-14)26-18(27)12-8-9-24-17(10-12)25-15-6-4-13(5-7-15)19(21,22)23/h1-11H,(H,24,25)(H,26,27)
InChIKeyVKUMWYXFZXXKTC-UHFFFAOYSA-N
XLogP5.24
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.33
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109176138
N-(3-fluorophenyl)-2-[2-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109178420
N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109270045
N-(3-chloro-4-methylphenyl)-2-(3-fluoroanilino)pyridine-4-carboxamide
CID 109177698
2-(2-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109177254
2-(3-chloro-4-methoxyanilino)-N-(3-fluorophenyl)pyridine-4-carboxamide
CID 109177807
3-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide
CID 113034913
N-(3-fluorophenyl)-2-(propylamino)pyridine-4-carboxamide
CID 62166192
N-(3-acetamidophenyl)-2-(4-acetylanilino)pyridine-4-carboxamide
CID 109178526
1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 727768
5-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109200292
N-pentyl-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109175363

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide (CID 109178460) is N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide is O=C(Nc1cccc(F)c1)c1ccnc(Nc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide?
The InChIKey is VKUMWYXFZXXKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N3O/c20-14-2-1-3-16(11-14)26-18(27)12-8-9-24-17(10-12)25-15-6-4-13(5-7-15)19(21,22)23/h1-11H,(H,24,25)(H,26,27).
What are the key properties of N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide?
N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide has a molecular weight of 375.33 g/mol, XLogP of 5.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide is sourced from PubChem (CID 109178460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).