N,3,5-trimethyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide

C17H17N3O2 — CID 24791600

IUPACN,3,5-trimethyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)N(C)Cc3cnccn3)c(C)c2c1
InChIInChI=1S/C17H17N3O2/c1-11-4-5-15-14(8-11)12(2)16(22-15)17(21)20(3)10-13-9-18-6-7-19-13/h4-9H,10H2,1-3H3
InChIKeyFKAXNMIIPYCSAM-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.11
Rot. Bonds3

About N,3,5-trimethyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide

N,3,5-trimethyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 24791600) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N,3,5-trimethyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID24791600
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN,3,5-trimethyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)N(C)Cc3cnccn3)c(C)c2c1
InChIInChI=1S/C17H17N3O2/c1-11-4-5-15-14(8-11)12(2)16(22-15)17(21)20(3)10-13-9-18-6-7-19-13/h4-9H,10H2,1-3H3
InChIKeyFKAXNMIIPYCSAM-UHFFFAOYSA-N
XLogP3.11
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N,3,5-trimethyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 24791600) is N,3,5-trimethyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N,3,5-trimethyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N,3,5-trimethyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)N(C)Cc3cnccn3)c(C)c2c1.
What is the InChIKey of N,3,5-trimethyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is FKAXNMIIPYCSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11-4-5-15-14(8-11)12(2)16(22-15)17(21)20(3)10-13-9-18-6-7-19-13/h4-9H,10H2,1-3H3.
What are the key properties of N,3,5-trimethyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide?
N,3,5-trimethyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24791600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).