N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C12H11F3N4O2 — CID 63940042

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C12H11F3N4O2/c1-19(6-9-16-4-5-17-9)11(21)7-2-3-8(12(13,14)15)18-10(7)20/h2-5H,6H2,1H3,(H,16,17)(H,18,20)
InChIKeyFNJZTOOSBSRPRS-UHFFFAOYSA-N
MW300.24 g/mol
LogP1.39
Rot. Bonds3

About N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 63940042) has the molecular formula C12H11F3N4O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID63940042
Molecular FormulaC12H11F3N4O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C12H11F3N4O2/c1-19(6-9-16-4-5-17-9)11(21)7-2-3-8(12(13,14)15)18-10(7)20/h2-5H,6H2,1H3,(H,16,17)(H,18,20)
InChIKeyFNJZTOOSBSRPRS-UHFFFAOYSA-N
XLogP1.39
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 63940042) is N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CN(Cc1ncc[nH]1)C(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is FNJZTOOSBSRPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2/c1-19(6-9-16-4-5-17-9)11(21)7-2-3-8(12(13,14)15)18-10(7)20/h2-5H,6H2,1H3,(H,16,17)(H,18,20).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 300.24 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 63940042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).