6-imidazol-1-yl-N-[3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C17H13F3N4O — CID 166208133

IUPAC6-imidazol-1-yl-N-[3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2cccc(-n3ccnc3)n2)ccc1C(F)(F)F
InChIInChI=1S/C17H13F3N4O/c1-11-9-12(5-6-13(11)17(18,19)20)22-16(25)14-3-2-4-15(23-14)24-8-7-21-10-24/h2-10H,1H3,(H,22,25)
InChIKeyOCAXITIBHUCSOJ-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.85
Rot. Bonds3

About 6-imidazol-1-yl-N-[3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide

6-imidazol-1-yl-N-[3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 166208133) has the molecular formula C17H13F3N4O and a molecular weight of 346.31 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-[3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-imidazol-1-yl-N-[3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID166208133
Molecular FormulaC17H13F3N4O
Molecular Weight346.31 g/mol
Exact Mass346.10
IUPAC Name6-imidazol-1-yl-N-[3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2cccc(-n3ccnc3)n2)ccc1C(F)(F)F
InChIInChI=1S/C17H13F3N4O/c1-11-9-12(5-6-13(11)17(18,19)20)22-16(25)14-3-2-4-15(23-14)24-8-7-21-10-24/h2-10H,1H3,(H,22,25)
InChIKeyOCAXITIBHUCSOJ-UHFFFAOYSA-N
XLogP3.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-6-imidazol-1-ylpyridine-2-carboxamide
CID 166481211
6-imidazol-1-yl-N-phenylpyridine-2-carboxamide
CID 97260029
6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide
CID 166481334
6-imidazol-1-yl-N-(2-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 166481480
6-imidazol-1-yl-N-(3-iodo-2-methylphenyl)pyridine-2-carboxamide
CID 166206985
N-[6-[acetyl(ethyl)amino]-3-pyridinyl]-6-imidazol-1-ylpyridine-2-carboxamide
CID 170418675
methyl 6-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate
CID 60541422
2-imidazol-1-yl-N-pyridin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 170774168
6-imidazol-1-yl-4-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide
CID 166481283
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-6-imidazol-1-ylpyridine-2-carboxamide
CID 75401232
6-chloro-N-(3-imidazol-1-ylphenyl)pyridine-2-carboxamide
CID 62235091
N-(3-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114084

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-[3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-imidazol-1-yl-N-[3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 166208133) is 6-imidazol-1-yl-N-[3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-imidazol-1-yl-N-[3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-imidazol-1-yl-N-[3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is Cc1cc(NC(=O)c2cccc(-n3ccnc3)n2)ccc1C(F)(F)F.
What is the InChIKey of 6-imidazol-1-yl-N-[3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is OCAXITIBHUCSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O/c1-11-9-12(5-6-13(11)17(18,19)20)22-16(25)14-3-2-4-15(23-14)24-8-7-21-10-24/h2-10H,1H3,(H,22,25).
What are the key properties of 6-imidazol-1-yl-N-[3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
6-imidazol-1-yl-N-[3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 346.31 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-[3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 166208133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).