5-cyano-N-[(5-methyl-1H-imidazol-4-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C13H10F3N5O — CID 166189004

IUPAC5-cyano-N-[(5-methyl-1H-imidazol-4-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1[nH]cnc1CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1
InChIInChI=1S/C13H10F3N5O/c1-7-10(21-6-20-7)5-19-12(22)9-2-8(3-17)11(18-4-9)13(14,15)16/h2,4,6H,5H2,1H3,(H,19,22)(H,20,21)
InChIKeyCGEVZSOYVFZPNA-UHFFFAOYSA-N
MW309.25 g/mol
LogP1.93
Rot. Bonds3

About 5-cyano-N-[(5-methyl-1H-imidazol-4-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

5-cyano-N-[(5-methyl-1H-imidazol-4-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 166189004) has the molecular formula C13H10F3N5O and a molecular weight of 309.25 g/mol. Its IUPAC name is 5-cyano-N-[(5-methyl-1H-imidazol-4-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[(5-methyl-1H-imidazol-4-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID166189004
Molecular FormulaC13H10F3N5O
Molecular Weight309.25 g/mol
Exact Mass309.08
IUPAC Name5-cyano-N-[(5-methyl-1H-imidazol-4-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1[nH]cnc1CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1
InChIInChI=1S/C13H10F3N5O/c1-7-10(21-6-20-7)5-19-12(22)9-2-8(3-17)11(18-4-9)13(14,15)16/h2,4,6H,5H2,1H3,(H,19,22)(H,20,21)
InChIKeyCGEVZSOYVFZPNA-UHFFFAOYSA-N
XLogP1.93
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(5-methyl-1H-imidazol-4-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 5-cyano-N-[(5-methyl-1H-imidazol-4-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 166189004) is 5-cyano-N-[(5-methyl-1H-imidazol-4-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-cyano-N-[(5-methyl-1H-imidazol-4-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-cyano-N-[(5-methyl-1H-imidazol-4-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1[nH]cnc1CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1.
What is the InChIKey of 5-cyano-N-[(5-methyl-1H-imidazol-4-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is CGEVZSOYVFZPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5O/c1-7-10(21-6-20-7)5-19-12(22)9-2-8(3-17)11(18-4-9)13(14,15)16/h2,4,6H,5H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 5-cyano-N-[(5-methyl-1H-imidazol-4-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
5-cyano-N-[(5-methyl-1H-imidazol-4-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 309.25 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(5-methyl-1H-imidazol-4-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 166189004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).