4-ethyl-5-(methylaminomethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-2-carboxamide

C21H22F3N5O — CID 134525338

IUPAC4-ethyl-5-(methylaminomethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-2-carboxamide
SMILESCCc1cc(C(=O)Nc2cn(Cc3cccc(C(F)(F)F)c3)cn2)ncc1CNC
InChIInChI=1S/C21H22F3N5O/c1-3-15-8-18(26-10-16(15)9-25-2)20(30)28-19-12-29(13-27-19)11-14-5-4-6-17(7-14)21(22,23)24/h4-8,10,12-13,25H,3,9,11H2,1-2H3,(H,28,30)
InChIKeyVJMGQZDVNBZIHR-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.88
Rot. Bonds7

About 4-ethyl-5-(methylaminomethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-2-carboxamide

4-ethyl-5-(methylaminomethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-2-carboxamide (PubChem CID 134525338) has the molecular formula C21H22F3N5O and a molecular weight of 417.44 g/mol. Its IUPAC name is 4-ethyl-5-(methylaminomethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-5-(methylaminomethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-2-carboxamide
PubChem CID134525338
Molecular FormulaC21H22F3N5O
Molecular Weight417.44 g/mol
Exact Mass417.18
IUPAC Name4-ethyl-5-(methylaminomethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-2-carboxamide
SMILESCCc1cc(C(=O)Nc2cn(Cc3cccc(C(F)(F)F)c3)cn2)ncc1CNC
InChIInChI=1S/C21H22F3N5O/c1-3-15-8-18(26-10-16(15)9-25-2)20(30)28-19-12-29(13-27-19)11-14-5-4-6-17(7-14)21(22,23)24/h4-8,10,12-13,25H,3,9,11H2,1-2H3,(H,28,30)
InChIKeyVJMGQZDVNBZIHR-UHFFFAOYSA-N
XLogP3.88
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-5-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129233123
5-bromo-6-(1,2-dihydroxyethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129233156
2-(hydroxymethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1,3-thiazole-5-carboxamide
CID 129205666
5-bromo-6-ethenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129233338
N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide
CID 134518216
4,4-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-2,3-dihydro-1H-isoquinoline-6-carboxamide
CID 135211826
2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 134518215
1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylic acid
CID 86277033
[2-methoxy-5-[(E)-3-oxo-3-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]amino]prop-1-enyl]-3-pyridinyl] acetate
CID 155073909
N-[1-[4-methyl-6-(nitrosomethyl)-3-pyridinyl]ethenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine
CID 134448042
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetamide
CID 159939674
1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine
CID 129205660

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(methylaminomethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 4-ethyl-5-(methylaminomethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-2-carboxamide (CID 134525338) is 4-ethyl-5-(methylaminomethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-ethyl-5-(methylaminomethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-ethyl-5-(methylaminomethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-2-carboxamide is CCc1cc(C(=O)Nc2cn(Cc3cccc(C(F)(F)F)c3)cn2)ncc1CNC.
What is the InChIKey of 4-ethyl-5-(methylaminomethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-2-carboxamide?
The InChIKey is VJMGQZDVNBZIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O/c1-3-15-8-18(26-10-16(15)9-25-2)20(30)28-19-12-29(13-27-19)11-14-5-4-6-17(7-14)21(22,23)24/h4-8,10,12-13,25H,3,9,11H2,1-2H3,(H,28,30).
What are the key properties of 4-ethyl-5-(methylaminomethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-2-carboxamide?
4-ethyl-5-(methylaminomethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-2-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(methylaminomethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 134525338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).