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

C20H13F3N4O — CID 109222081

IUPACN-(2-cyanophenyl)-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cc(Nc2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C20H13F3N4O/c21-20(22,23)14-5-3-6-15(10-14)26-16-8-9-25-18(11-16)19(28)27-17-7-2-1-4-13(17)12-24/h1-11H,(H,25,26)(H,27,28)
InChIKeyVPMPLBLDWHPSTG-UHFFFAOYSA-N
MW382.35 g/mol
LogP4.97
Rot. Bonds4

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

N-(2-cyanophenyl)-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide (PubChem CID 109222081) has the molecular formula C20H13F3N4O and a molecular weight of 382.35 g/mol. Its IUPAC name is N-(2-cyanophenyl)-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
PubChem CID109222081
Molecular FormulaC20H13F3N4O
Molecular Weight382.35 g/mol
Exact Mass382.10
IUPAC NameN-(2-cyanophenyl)-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cc(Nc2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C20H13F3N4O/c21-20(22,23)14-5-3-6-15(10-14)26-16-8-9-25-18(11-16)19(28)27-17-7-2-1-4-13(17)12-24/h1-11H,(H,25,26)(H,27,28)
InChIKeyVPMPLBLDWHPSTG-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

N-(2-cyanophenyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109222061
4-(3-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109222698
4-(2-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109222697
N-(2-cyanophenyl)-4-(2,3-dichloroanilino)pyridine-2-carboxamide
CID 109222663
N-(2-cyanophenyl)-4-(2-ethylanilino)pyridine-2-carboxamide
CID 109220187
4-(2-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219127
N-(3-bromophenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide
CID 109222479
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
4-(2-cyanoanilino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109219824
N-(2-cyanophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 26417253

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide (CID 109222081) is N-(2-cyanophenyl)-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide is N#Cc1ccccc1NC(=O)c1cc(Nc2cccc(C(F)(F)F)c2)ccn1.
What is the InChIKey of N-(2-cyanophenyl)-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The InChIKey is VPMPLBLDWHPSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O/c21-20(22,23)14-5-3-6-15(10-14)26-16-8-9-25-18(11-16)19(28)27-17-7-2-1-4-13(17)12-24/h1-11H,(H,25,26)(H,27,28).
What are the key properties of N-(2-cyanophenyl)-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide?
N-(2-cyanophenyl)-4-[3-(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-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide is sourced from PubChem (CID 109222081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).