6-ethenyl-5-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide

C19H15F3N4O — CID 129205685

IUPAC6-ethenyl-5-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide
SMILESC=Cc1ncc(C(=O)Nc2cn(Cc3cc(F)c(F)c(F)c3)cn2)cc1C
InChIInChI=1S/C19H15F3N4O/c1-3-16-11(2)4-13(7-23-16)19(27)25-17-9-26(10-24-17)8-12-5-14(20)18(22)15(21)6-12/h3-7,9-10H,1,8H2,2H3,(H,25,27)
InChIKeySLASNJPDFRUZFK-UHFFFAOYSA-N
MW372.35 g/mol
LogP3.95
Rot. Bonds5

About 6-ethenyl-5-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide

6-ethenyl-5-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide (PubChem CID 129205685) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is 6-ethenyl-5-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-ethenyl-5-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide
PubChem CID129205685
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC Name6-ethenyl-5-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide
SMILESC=Cc1ncc(C(=O)Nc2cn(Cc3cc(F)c(F)c(F)c3)cn2)cc1C
InChIInChI=1S/C19H15F3N4O/c1-3-16-11(2)4-13(7-23-16)19(27)25-17-9-26(10-24-17)8-12-5-14(20)18(22)15(21)6-12/h3-7,9-10H,1,8H2,2H3,(H,25,27)
InChIKeySLASNJPDFRUZFK-UHFFFAOYSA-N
XLogP3.95
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-bromo-6-ethenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129233338
6-(1,2-dihydroxyethyl)-5-fluoro-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129224342
N-[1-[(3,5-difluorophenyl)methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide
CID 134518256
6-(aminomethyl)-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129224371
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide
CID 130384069
6-chloro-5-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129233123
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-5-(fluoromethyl)-6-(hydroxymethyl)pyridine-3-carboxamide
CID 142742815
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carboxamide
CID 129205649
5-bromo-6-(1,2-dihydroxyethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129233156
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-4-methylsulfonylbenzamide
CID 130384064
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1H-pyrrole-3-carboxamide
CID 130384067
ethyl 2-[[1-[(3,4,5-trifluorophenyl)methyl]imidazole-4-carbonyl]amino]-1,3-thiazole-4-carboxylate
CID 129233340

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-5-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-ethenyl-5-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide (CID 129205685) is 6-ethenyl-5-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-ethenyl-5-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-ethenyl-5-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide is C=Cc1ncc(C(=O)Nc2cn(Cc3cc(F)c(F)c(F)c3)cn2)cc1C.
What is the InChIKey of 6-ethenyl-5-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide?
The InChIKey is SLASNJPDFRUZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c1-3-16-11(2)4-13(7-23-16)19(27)25-17-9-26(10-24-17)8-12-5-14(20)18(22)15(21)6-12/h3-7,9-10H,1,8H2,2H3,(H,25,27).
What are the key properties of 6-ethenyl-5-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide?
6-ethenyl-5-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide has a molecular weight of 372.35 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-5-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 129205685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).