N-cycloheptyl-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide

C19H21F3N4O — CID 109263138

IUPACN-cycloheptyl-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
SMILESO=C(NC1CCCCCC1)c1cnc(Nc2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C19H21F3N4O/c20-19(21,22)14-6-5-9-16(10-14)26-18-23-11-13(12-24-18)17(27)25-15-7-3-1-2-4-8-15/h5-6,9-12,15H,1-4,7-8H2,(H,25,27)(H,23,24,26)
InChIKeyWTTYFIGIHYKZBW-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.69
Rot. Bonds4

About N-cycloheptyl-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide

N-cycloheptyl-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide (PubChem CID 109263138) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is N-cycloheptyl-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
PubChem CID109263138
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC NameN-cycloheptyl-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
SMILESO=C(NC1CCCCCC1)c1cnc(Nc2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C19H21F3N4O/c20-19(21,22)14-6-5-9-16(10-14)26-18-23-11-13(12-24-18)17(27)25-15-7-3-1-2-4-8-15/h5-6,9-12,15H,1-4,7-8H2,(H,25,27)(H,23,24,26)
InChIKeyWTTYFIGIHYKZBW-UHFFFAOYSA-N
XLogP4.69
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250380
2-(3-chloroanilino)-N-cycloheptylpyrimidine-5-carboxamide
CID 109263115
N-cycloheptyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109263127
N-cyclopentyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109249645
2-(3-cyanoanilino)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249705
N-cycloheptyl-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109263097
N-cyclopentyl-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109249710
N-(4-fluorophenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109268482
N-cyclopentyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109112395
2-(3-acetylanilino)-N-cyclopropylpyrimidine-5-carboxamide
CID 109247399
N-(3,5-dimethylphenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109266873
6-N-cyclohexyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109095374

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
The IUPAC name of N-cycloheptyl-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide (CID 109263138) is N-cycloheptyl-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
The canonical SMILES for N-cycloheptyl-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide is O=C(NC1CCCCCC1)c1cnc(Nc2cccc(C(F)(F)F)c2)nc1.
What is the InChIKey of N-cycloheptyl-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
The InChIKey is WTTYFIGIHYKZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/c20-19(21,22)14-6-5-9-16(10-14)26-18-23-11-13(12-24-18)17(27)25-15-7-3-1-2-4-8-15/h5-6,9-12,15H,1-4,7-8H2,(H,25,27)(H,23,24,26).
What are the key properties of N-cycloheptyl-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
N-cycloheptyl-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide has a molecular weight of 378.40 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109263138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).