2-methyl-N-(5-methylpyrazin-2-yl)-4-[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]oxy-1-benzofuran-6-carboxamide

C24H22N6O4 — CID 90665744

IUPAC2-methyl-N-(5-methylpyrazin-2-yl)-4-[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]oxy-1-benzofuran-6-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N4CCCC4)cn3)c3cc(C)oc3c2)cn1
InChIInChI=1S/C24H22N6O4/c1-14-10-27-21(12-25-14)29-23(31)16-8-19-17(7-15(2)33-19)20(9-16)34-22-13-26-18(11-28-22)24(32)30-5-3-4-6-30/h7-13H,3-6H2,1-2H3,(H,27,29,31)
InChIKeyXBOGGYMIXVFRFU-UHFFFAOYSA-N
MW458.48 g/mol
LogP3.91
Rot. Bonds5

About 2-methyl-N-(5-methylpyrazin-2-yl)-4-[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]oxy-1-benzofuran-6-carboxamide

2-methyl-N-(5-methylpyrazin-2-yl)-4-[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]oxy-1-benzofuran-6-carboxamide (PubChem CID 90665744) has the molecular formula C24H22N6O4 and a molecular weight of 458.48 g/mol. Its IUPAC name is 2-methyl-N-(5-methylpyrazin-2-yl)-4-[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]oxy-1-benzofuran-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-methylpyrazin-2-yl)-4-[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]oxy-1-benzofuran-6-carboxamide
PubChem CID90665744
Molecular FormulaC24H22N6O4
Molecular Weight458.48 g/mol
Exact Mass458.17
IUPAC Name2-methyl-N-(5-methylpyrazin-2-yl)-4-[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]oxy-1-benzofuran-6-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N4CCCC4)cn3)c3cc(C)oc3c2)cn1
InChIInChI=1S/C24H22N6O4/c1-14-10-27-21(12-25-14)29-23(31)16-8-19-17(7-15(2)33-19)20(9-16)34-22-13-26-18(11-28-22)24(32)30-5-3-4-6-30/h7-13H,3-6H2,1-2H3,(H,27,29,31)
InChIKeyXBOGGYMIXVFRFU-UHFFFAOYSA-N
XLogP3.91
TPSA123.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methylpyrazin-2-yl)-4-[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]oxy-1-benzofuran-6-carboxamide?
The IUPAC name of 2-methyl-N-(5-methylpyrazin-2-yl)-4-[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]oxy-1-benzofuran-6-carboxamide (CID 90665744) is 2-methyl-N-(5-methylpyrazin-2-yl)-4-[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]oxy-1-benzofuran-6-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-methylpyrazin-2-yl)-4-[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]oxy-1-benzofuran-6-carboxamide?
The canonical SMILES for 2-methyl-N-(5-methylpyrazin-2-yl)-4-[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]oxy-1-benzofuran-6-carboxamide is Cc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N4CCCC4)cn3)c3cc(C)oc3c2)cn1.
What is the InChIKey of 2-methyl-N-(5-methylpyrazin-2-yl)-4-[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]oxy-1-benzofuran-6-carboxamide?
The InChIKey is XBOGGYMIXVFRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O4/c1-14-10-27-21(12-25-14)29-23(31)16-8-19-17(7-15(2)33-19)20(9-16)34-22-13-26-18(11-28-22)24(32)30-5-3-4-6-30/h7-13H,3-6H2,1-2H3,(H,27,29,31).
What are the key properties of 2-methyl-N-(5-methylpyrazin-2-yl)-4-[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]oxy-1-benzofuran-6-carboxamide?
2-methyl-N-(5-methylpyrazin-2-yl)-4-[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]oxy-1-benzofuran-6-carboxamide has a molecular weight of 458.48 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methylpyrazin-2-yl)-4-[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]oxy-1-benzofuran-6-carboxamide is sourced from PubChem (CID 90665744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).