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

C19H13F4N3O — CID 109177254

IUPAC2-(2-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccnc(Nc2ccccc2F)c1
InChIInChI=1S/C19H13F4N3O/c20-15-6-1-2-7-16(15)26-17-10-12(8-9-24-17)18(27)25-14-5-3-4-13(11-14)19(21,22)23/h1-11H,(H,24,26)(H,25,27)
InChIKeyDODLYYVXQYSEIV-UHFFFAOYSA-N
MW375.33 g/mol
LogP5.24
Rot. Bonds4

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

2-(2-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide (PubChem CID 109177254) has the molecular formula C19H13F4N3O and a molecular weight of 375.33 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
PubChem CID109177254
Molecular FormulaC19H13F4N3O
Molecular Weight375.33 g/mol
Exact Mass375.10
IUPAC Name2-(2-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccnc(Nc2ccccc2F)c1
InChIInChI=1S/C19H13F4N3O/c20-15-6-1-2-7-16(15)26-17-10-12(8-9-24-17)18(27)25-14-5-3-4-13(11-14)19(21,22)23/h1-11H,(H,24,26)(H,25,27)
InChIKeyDODLYYVXQYSEIV-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]pyridine-4-carboxamide
CID 109178460
2-(benzylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109169562
N-(1,3-benzodioxol-5-yl)-2-(2-fluoroanilino)pyridine-4-carboxamide
CID 109177269
2,6-difluoro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 26289494
N-(2-phenylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109172217
2-(2-bromoanilino)-N-(3-methylphenyl)pyridine-4-carboxamide
CID 109176245
N-(2-ethoxyphenyl)-2-(2-fluoroanilino)pyridine-4-carboxamide
CID 109177245
2-N-(3-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109091236
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109166817
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide (CID 109177254) is 2-(2-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1ccnc(Nc2ccccc2F)c1.
What is the InChIKey of 2-(2-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The InChIKey is DODLYYVXQYSEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N3O/c20-15-6-1-2-7-16(15)26-17-10-12(8-9-24-17)18(27)25-14-5-3-4-13(11-14)19(21,22)23/h1-11H,(H,24,26)(H,25,27).
What are the key properties of 2-(2-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
2-(2-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]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 2-(2-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 109177254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).