N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C12H11F3N4O2 — CID 115668356

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCCc1ncc[nH]1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C12H11F3N4O2/c13-12(14,15)8-2-1-7(11(21)19-8)10(20)18-4-3-9-16-5-6-17-9/h1-2,5-6H,3-4H2,(H,16,17)(H,18,20)(H,19,21)
InChIKeyLWWCPXHFKNPTFF-UHFFFAOYSA-N
MW300.24 g/mol
LogP1.09
Rot. Bonds4

About N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 115668356) has the molecular formula C12H11F3N4O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID115668356
Molecular FormulaC12H11F3N4O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCCc1ncc[nH]1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C12H11F3N4O2/c13-12(14,15)8-2-1-7(11(21)19-8)10(20)18-4-3-9-16-5-6-17-9/h1-2,5-6H,3-4H2,(H,16,17)(H,18,20)(H,19,21)
InChIKeyLWWCPXHFKNPTFF-UHFFFAOYSA-N
XLogP1.09
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide
CID 72047209
5-bromo-N-(1H-imidazol-2-ylmethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 86794155
5-bromo-N-(2-imidazol-1-ylethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 86817205
2-(1H-imidazol-2-yl)-N-(3,3,3-trifluoropropyl)acetamide
CID 140233246
5-formyl-N-(1H-imidazol-5-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 172579039
N-[3-amino-2-[1-(difluoromethyl)imidazol-2-yl]prop-2-enyl]-5-fluoro-6-oxo-1H-pyridine-3-carboxamide
CID 173829112
3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyridin-2-one
CID 176170317
N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 56412158
N-(1H-imidazol-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 63563115
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 63940042
N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 64195486
N-(1H-imidazol-2-ylmethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 64196976

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 115668356) is N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NCCc1ncc[nH]1)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is LWWCPXHFKNPTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2/c13-12(14,15)8-2-1-7(11(21)19-8)10(20)18-4-3-9-16-5-6-17-9/h1-2,5-6H,3-4H2,(H,16,17)(H,18,20)(H,19,21).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 300.24 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 115668356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).