N-(2-cyanophenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide

C19H12F3N5O — CID 109359290

IUPACN-(2-cyanophenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cc(Nc2ccccc2C(F)(F)F)ncn1
InChIInChI=1S/C19H12F3N5O/c20-19(21,22)13-6-2-4-8-15(13)26-17-9-16(24-11-25-17)18(28)27-14-7-3-1-5-12(14)10-23/h1-9,11H,(H,27,28)(H,24,25,26)
InChIKeyAQRJTCLTUVKABR-UHFFFAOYSA-N
MW383.33 g/mol
LogP4.36
Rot. Bonds4

About N-(2-cyanophenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide

N-(2-cyanophenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide (PubChem CID 109359290) has the molecular formula C19H12F3N5O and a molecular weight of 383.33 g/mol. Its IUPAC name is N-(2-cyanophenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
PubChem CID109359290
Molecular FormulaC19H12F3N5O
Molecular Weight383.33 g/mol
Exact Mass383.10
IUPAC NameN-(2-cyanophenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cc(Nc2ccccc2C(F)(F)F)ncn1
InChIInChI=1S/C19H12F3N5O/c20-19(21,22)13-6-2-4-8-15(13)26-17-9-16(24-11-25-17)18(28)27-14-7-3-1-5-12(14)10-23/h1-9,11H,(H,27,28)(H,24,25,26)
InChIKeyAQRJTCLTUVKABR-UHFFFAOYSA-N
XLogP4.36
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 112850765
N-(2-cyanophenyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109222061
6-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109358063
N-(2-cyanophenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109359804
N-(2-cyanophenyl)-6-(3,5-dichloroanilino)pyrimidine-4-carboxamide
CID 109359869
N-(2-cyanophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109357114
N-(2-cyanophenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109356261
6-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide
CID 109358385
6-(2-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109359923
6-(2-cyanoanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109356188
N-(2-cyanophenyl)-2-(trifluoromethyl)benzamide
CID 24695576
N-(2-cyanophenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109344223

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide (CID 109359290) is N-(2-cyanophenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide is N#Cc1ccccc1NC(=O)c1cc(Nc2ccccc2C(F)(F)F)ncn1.
What is the InChIKey of N-(2-cyanophenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The InChIKey is AQRJTCLTUVKABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N5O/c20-19(21,22)13-6-2-4-8-15(13)26-17-9-16(24-11-25-17)18(28)27-14-7-3-1-5-12(14)10-23/h1-9,11H,(H,27,28)(H,24,25,26).
What are the key properties of N-(2-cyanophenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
N-(2-cyanophenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide has a molecular weight of 383.33 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109359290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).