2-imidazol-1-yl-N-pyridin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide

C14H9F3N6O — CID 170774168

IUPAC2-imidazol-1-yl-N-pyridin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccncc1)c1cc(C(F)(F)F)nc(-n2ccnc2)n1
InChIInChI=1S/C14H9F3N6O/c15-14(16,17)11-7-10(12(24)20-9-1-3-18-4-2-9)21-13(22-11)23-6-5-19-8-23/h1-8H,(H,18,20,24)
InChIKeyPSWLJFBVFRPCFU-UHFFFAOYSA-N
MW334.26 g/mol
LogP2.33
Rot. Bonds3

About 2-imidazol-1-yl-N-pyridin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide

2-imidazol-1-yl-N-pyridin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide (PubChem CID 170774168) has the molecular formula C14H9F3N6O and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-pyridin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-pyridin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
PubChem CID170774168
Molecular FormulaC14H9F3N6O
Molecular Weight334.26 g/mol
Exact Mass334.08
IUPAC Name2-imidazol-1-yl-N-pyridin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccncc1)c1cc(C(F)(F)F)nc(-n2ccnc2)n1
InChIInChI=1S/C14H9F3N6O/c15-14(16,17)11-7-10(12(24)20-9-1-3-18-4-2-9)21-13(22-11)23-6-5-19-8-23/h1-8H,(H,18,20,24)
InChIKeyPSWLJFBVFRPCFU-UHFFFAOYSA-N
XLogP2.33
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-hydroxy-2-methylpropoxy)-2-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
CID 169005991
N-(3-fluoro-5-piperazin-1-ylphenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 170774185
2-imidazol-1-yl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 170774256
2-imidazol-1-yl-N-(4-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 166481353
2-imidazol-1-yl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide;hydrochloride
CID 170774255
tert-butyl 4-[3-fluoro-5-[[2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine-4-carbonyl]amino]phenyl]piperazine-1-carboxylate
CID 170774214
6-imidazol-1-yl-4-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide
CID 166481283
6-cyano-2-imidazol-1-yl-N-pyrimidin-5-ylpyrimidine-4-carboxamide
CID 170774245
6-imidazol-1-yl-N-[3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 166208133
N-(2-imidazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 121112592
6-imidazol-1-yl-2-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
CID 169005996
N-(3-fluoro-4-methylphenyl)-2-methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 146078610

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-pyridin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-imidazol-1-yl-N-pyridin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide (CID 170774168) is 2-imidazol-1-yl-N-pyridin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-imidazol-1-yl-N-pyridin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-imidazol-1-yl-N-pyridin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide is O=C(Nc1ccncc1)c1cc(C(F)(F)F)nc(-n2ccnc2)n1.
What is the InChIKey of 2-imidazol-1-yl-N-pyridin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is PSWLJFBVFRPCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N6O/c15-14(16,17)11-7-10(12(24)20-9-1-3-18-4-2-9)21-13(22-11)23-6-5-19-8-23/h1-8H,(H,18,20,24).
What are the key properties of 2-imidazol-1-yl-N-pyridin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide?
2-imidazol-1-yl-N-pyridin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 334.26 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-pyridin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 170774168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).