5-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-N-propylpyrazine-2-carboxamide

C20H23F3N4O2 — CID 4170520

IUPAC5-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-N-propylpyrazine-2-carboxamide
SMILESCCCN(CCC(=O)NCc1cccc(C(F)(F)F)c1)C(=O)c1cnc(C)cn1
InChIInChI=1S/C20H23F3N4O2/c1-3-8-27(19(29)17-13-24-14(2)11-25-17)9-7-18(28)26-12-15-5-4-6-16(10-15)20(21,22)23/h4-6,10-11,13H,3,7-9,12H2,1-2H3,(H,26,28)
InChIKeyUHMCXEANYMVKCA-UHFFFAOYSA-N
MW408.42 g/mol
LogP3.36
Rot. Bonds8

About 5-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-N-propylpyrazine-2-carboxamide

5-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-N-propylpyrazine-2-carboxamide (PubChem CID 4170520) has the molecular formula C20H23F3N4O2 and a molecular weight of 408.42 g/mol. Its IUPAC name is 5-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-N-propylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-N-propylpyrazine-2-carboxamide
PubChem CID4170520
Molecular FormulaC20H23F3N4O2
Molecular Weight408.42 g/mol
Exact Mass408.18
IUPAC Name5-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-N-propylpyrazine-2-carboxamide
SMILESCCCN(CCC(=O)NCc1cccc(C(F)(F)F)c1)C(=O)c1cnc(C)cn1
InChIInChI=1S/C20H23F3N4O2/c1-3-8-27(19(29)17-13-24-14(2)11-25-17)9-7-18(28)26-12-15-5-4-6-16(10-15)20(21,22)23/h4-6,10-11,13H,3,7-9,12H2,1-2H3,(H,26,28)
InChIKeyUHMCXEANYMVKCA-UHFFFAOYSA-N
XLogP3.36
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-N-propylpyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methylbutyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide
CID 42783168
5-methyl-N-[3-oxo-3-(propylamino)propyl]-N-propylpyrazine-2-carboxamide
CID 4623539
N-hexyl-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide
CID 7230966
N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide
CID 4067172
N-[3-(benzylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 5204065
N-benzyl-5-methyl-N-propylpyrazine-2-carboxamide
CID 78781899
N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 7419199
2-anilino-N-benzyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-1,3-thiazole-4-carboxamide
CID 46136473
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
5-methyl-N-[3-(3-methylbutylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 4150125
6-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]hexanoic acid
CID 43529482
2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 159159618

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-N-propylpyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-N-propylpyrazine-2-carboxamide (CID 4170520) is 5-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-N-propylpyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-N-propylpyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-N-propylpyrazine-2-carboxamide is CCCN(CCC(=O)NCc1cccc(C(F)(F)F)c1)C(=O)c1cnc(C)cn1.
What is the InChIKey of 5-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-N-propylpyrazine-2-carboxamide?
The InChIKey is UHMCXEANYMVKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O2/c1-3-8-27(19(29)17-13-24-14(2)11-25-17)9-7-18(28)26-12-15-5-4-6-16(10-15)20(21,22)23/h4-6,10-11,13H,3,7-9,12H2,1-2H3,(H,26,28).
What are the key properties of 5-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-N-propylpyrazine-2-carboxamide?
5-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-N-propylpyrazine-2-carboxamide has a molecular weight of 408.42 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-N-propylpyrazine-2-carboxamide is sourced from PubChem (CID 4170520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).