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

C19H14F3N3O — CID 109218783

IUPACN-phenyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(Nc2ccccc2C(F)(F)F)ccn1
InChIInChI=1S/C19H14F3N3O/c20-19(21,22)15-8-4-5-9-16(15)24-14-10-11-23-17(12-14)18(26)25-13-6-2-1-3-7-13/h1-12H,(H,23,24)(H,25,26)
InChIKeyHRCHUHYWLLYPPI-UHFFFAOYSA-N
MW357.34 g/mol
LogP5.10
Rot. Bonds4

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

N-phenyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide (PubChem CID 109218783) has the molecular formula C19H14F3N3O and a molecular weight of 357.34 g/mol. Its IUPAC name is N-phenyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
PubChem CID109218783
Molecular FormulaC19H14F3N3O
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC NameN-phenyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(Nc2ccccc2C(F)(F)F)ccn1
InChIInChI=1S/C19H14F3N3O/c20-19(21,22)15-8-4-5-9-16(15)24-14-10-11-23-17(12-14)18(26)25-13-6-2-1-3-7-13/h1-12H,(H,23,24)(H,25,26)
InChIKeyHRCHUHYWLLYPPI-UHFFFAOYSA-N
XLogP5.10
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.34
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109220614
4-(2-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109219031
N-(2-cyanophenyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109222061
N-(2-methylpropyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109202985
4-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109222054
4-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109221605
N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109213332
4-(2-tert-butylanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109220562
N-benzyl-N-ethyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109212553
4-(4-chloro-2-methylanilino)-N-phenylpyridine-2-carboxamide
CID 109218765
4-(4-methylanilino)-N-phenylpyridine-2-carboxamide
CID 109218739
N-(2,6-difluorophenyl)-4-(2-fluoroanilino)pyridine-2-carboxamide
CID 109220720

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The IUPAC name of N-phenyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide (CID 109218783) is N-phenyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide.
What is the SMILES notation for N-phenyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The canonical SMILES for N-phenyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide is O=C(Nc1ccccc1)c1cc(Nc2ccccc2C(F)(F)F)ccn1.
What is the InChIKey of N-phenyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The InChIKey is HRCHUHYWLLYPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O/c20-19(21,22)15-8-4-5-9-16(15)24-14-10-11-23-17(12-14)18(26)25-13-6-2-1-3-7-13/h1-12H,(H,23,24)(H,25,26).
What are the key properties of N-phenyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide?
N-phenyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide has a molecular weight of 357.34 g/mol, XLogP of 5.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide is sourced from PubChem (CID 109218783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).