2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]propanamide

C17H14F3N3O2 — CID 58487117

IUPAC2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]propanamide
SMILESCC(C)C(=O)Nc1cnc(-c2c(C(F)(F)F)oc3ccccc23)cn1
InChIInChI=1S/C17H14F3N3O2/c1-9(2)16(24)23-13-8-21-11(7-22-13)14-10-5-3-4-6-12(10)25-15(14)17(18,19)20/h3-9H,1-2H3,(H,22,23,24)
InChIKeyZRGRTEKFCDTOMJ-UHFFFAOYSA-N
MW349.31 g/mol
LogP4.50
Rot. Bonds3

About 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]propanamide

2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]propanamide (PubChem CID 58487117) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]propanamide
PubChem CID58487117
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]propanamide
SMILESCC(C)C(=O)Nc1cnc(-c2c(C(F)(F)F)oc3ccccc23)cn1
InChIInChI=1S/C17H14F3N3O2/c1-9(2)16(24)23-13-8-21-11(7-22-13)14-10-5-3-4-6-12(10)25-15(14)17(18,19)20/h3-9H,1-2H3,(H,22,23,24)
InChIKeyZRGRTEKFCDTOMJ-UHFFFAOYSA-N
XLogP4.50
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-(5-trifluoromethyl-pyridin-2-yl)-amine
CID 11574624
{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-pyrazin-2-yl-amine
CID 11695489
3-methyl-N-(5-methyl-2-pyridinyl)-2-benzofurancarboxamide
CID 18106749
3-methyl-N-(4-methylpyridin-2-yl)-1-benzofuran-2-carboxamide
CID 21211963
4-Fluoro-N-[6-(2-furyl)-5-pyridin-4-ylpyrazin-2-yl]benzamide
CID 16070216
N-[6-(5-methyl-2-furyl)-5-pyridin-4-ylpyrazin-2-yl]cyclopropanecarboxamide
CID 16071777
(E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(4-oxo-1,2,3,5-tetrahydropyrido[2,3-b][1,4]diazepin-8-yl)prop-2-enamide
CID 23657990
(E)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)-3-(2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)acrylamide
CID 24891660
4-[5-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-2-pyridinyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 52917633
4-[5-[[3-(difluoromethyl)-1-benzofuran-2-carbonyl]amino]pyridin-2-yl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 67035798
5-[[(2S)-2-aminopropyl]amino]-3-(1-benzofuran-2-yl)pyrazine-2-carboxamide
CID 118372967
(E)-3-[(2R,3S)-3-amino-2-methyl-4-oxo-1,2,3,5-tetrahydropyrido[2,3-b][1,4]diazepin-8-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
CID 156500209

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]propanamide (CID 58487117) is 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]propanamide is CC(C)C(=O)Nc1cnc(-c2c(C(F)(F)F)oc3ccccc23)cn1.
What is the InChIKey of 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]propanamide?
The InChIKey is ZRGRTEKFCDTOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c1-9(2)16(24)23-13-8-21-11(7-22-13)14-10-5-3-4-6-12(10)25-15(14)17(18,19)20/h3-9H,1-2H3,(H,22,23,24).
What are the key properties of 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]propanamide?
2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]propanamide has a molecular weight of 349.31 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]propanamide is sourced from PubChem (CID 58487117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).