N-(4-cyanophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide

C19H12F3N5O — CID 109270050

IUPACN-(4-cyanophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cnc(Nc3ccc(C(F)(F)F)cc3)nc2)cc1
InChIInChI=1S/C19H12F3N5O/c20-19(21,22)14-3-7-16(8-4-14)27-18-24-10-13(11-25-18)17(28)26-15-5-1-12(9-23)2-6-15/h1-8,10-11H,(H,26,28)(H,24,25,27)
InChIKeyJWOACKYOEGRALZ-UHFFFAOYSA-N
MW383.33 g/mol
LogP4.36
Rot. Bonds4

About N-(4-cyanophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide

N-(4-cyanophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide (PubChem CID 109270050) has the molecular formula C19H12F3N5O and a molecular weight of 383.33 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
PubChem CID109270050
Molecular FormulaC19H12F3N5O
Molecular Weight383.33 g/mol
Exact Mass383.10
IUPAC NameN-(4-cyanophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cnc(Nc3ccc(C(F)(F)F)cc3)nc2)cc1
InChIInChI=1S/C19H12F3N5O/c20-19(21,22)14-3-7-16(8-4-14)27-18-24-10-13(11-25-18)17(28)26-15-5-1-12(9-23)2-6-15/h1-8,10-11H,(H,26,28)(H,24,25,27)
InChIKeyJWOACKYOEGRALZ-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

4-cyano-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684239
N-(4-cyanophenyl)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide
CID 109270313
2-(4-cyanoanilino)-N-(2,6-difluorophenyl)pyrimidine-5-carboxamide
CID 109270726
2-(4-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109270322
N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109270045
2-(4-cyanoanilino)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109268383
N-tert-butyl-2-(4-cyanoanilino)pyrimidine-5-carboxamide
CID 109262951
2-(3-acetylanilino)-N-(4-cyanophenyl)pyrimidine-5-carboxamide
CID 109270091
N-(4-cyanophenyl)-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide
CID 109269995
N-(2-chlorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109268616
N-(4-cyanophenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109164420
N-(4-cyanophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide
CID 90241335

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide (CID 109270050) is N-(4-cyanophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide is N#Cc1ccc(NC(=O)c2cnc(Nc3ccc(C(F)(F)F)cc3)nc2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
The InChIKey is JWOACKYOEGRALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N5O/c20-19(21,22)14-3-7-16(8-4-14)27-18-24-10-13(11-25-18)17(28)26-15-5-1-12(9-23)2-6-15/h1-8,10-11H,(H,26,28)(H,24,25,27).
What are the key properties of N-(4-cyanophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
N-(4-cyanophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-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-(4-cyanophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109270050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).