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

C20H13F3N4O — CID 109222061

IUPACN-(2-cyanophenyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cc(Nc2ccccc2C(F)(F)F)ccn1
InChIInChI=1S/C20H13F3N4O/c21-20(22,23)15-6-2-4-8-17(15)26-14-9-10-25-18(11-14)19(28)27-16-7-3-1-5-13(16)12-24/h1-11H,(H,25,26)(H,27,28)
InChIKeyQXWXFOLJNPWKGG-UHFFFAOYSA-N
MW382.35 g/mol
LogP4.97
Rot. Bonds4

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

N-(2-cyanophenyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide (PubChem CID 109222061) has the molecular formula C20H13F3N4O and a molecular weight of 382.35 g/mol. Its IUPAC name is N-(2-cyanophenyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
PubChem CID109222061
Molecular FormulaC20H13F3N4O
Molecular Weight382.35 g/mol
Exact Mass382.10
IUPAC NameN-(2-cyanophenyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cc(Nc2ccccc2C(F)(F)F)ccn1
InChIInChI=1S/C20H13F3N4O/c21-20(22,23)15-6-2-4-8-17(15)26-14-9-10-25-18(11-14)19(28)27-16-7-3-1-5-13(16)12-24/h1-11H,(H,25,26)(H,27,28)
InChIKeyQXWXFOLJNPWKGG-UHFFFAOYSA-N
XLogP4.97
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109222697
N-(2-cyanophenyl)-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109222081
N-(2-fluorophenyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109220614
N-phenyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109218783
N-(2-cyanophenyl)-4-(2-ethylanilino)pyridine-2-carboxamide
CID 109220187
N-(2-cyanophenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109359290
N-(2-cyanophenyl)-4-(2,3-dichloroanilino)pyridine-2-carboxamide
CID 109222663
4-(2-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109219031
4-(3-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109222698
4-(2-cyanoanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109222708
4-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109221189
4-(2-cyanoanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109219956

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide (CID 109222061) is N-(2-cyanophenyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide is N#Cc1ccccc1NC(=O)c1cc(Nc2ccccc2C(F)(F)F)ccn1.
What is the InChIKey of N-(2-cyanophenyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The InChIKey is QXWXFOLJNPWKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O/c21-20(22,23)15-6-2-4-8-17(15)26-14-9-10-25-18(11-14)19(28)27-16-7-3-1-5-13(16)12-24/h1-11H,(H,25,26)(H,27,28).
What are the key properties of N-(2-cyanophenyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide?
N-(2-cyanophenyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide has a molecular weight of 382.35 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide is sourced from PubChem (CID 109222061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).