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

C25H24N6O4 — CID 90665745

IUPAC2-methyl-N-(5-methylpyrazin-2-yl)-4-[5-(piperidine-1-carbonyl)pyrazin-2-yl]oxy-1-benzofuran-6-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N4CCCCC4)cn3)c3cc(C)oc3c2)cn1
InChIInChI=1S/C25H24N6O4/c1-15-11-28-22(13-26-15)30-24(32)17-9-20-18(8-16(2)34-20)21(10-17)35-23-14-27-19(12-29-23)25(33)31-6-4-3-5-7-31/h8-14H,3-7H2,1-2H3,(H,28,30,32)
InChIKeyQKNHXFWGHFJTSR-UHFFFAOYSA-N
MW472.51 g/mol
LogP4.30
Rot. Bonds5

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

2-methyl-N-(5-methylpyrazin-2-yl)-4-[5-(piperidine-1-carbonyl)pyrazin-2-yl]oxy-1-benzofuran-6-carboxamide (PubChem CID 90665745) has the molecular formula C25H24N6O4 and a molecular weight of 472.51 g/mol. Its IUPAC name is 2-methyl-N-(5-methylpyrazin-2-yl)-4-[5-(piperidine-1-carbonyl)pyrazin-2-yl]oxy-1-benzofuran-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-methylpyrazin-2-yl)-4-[5-(piperidine-1-carbonyl)pyrazin-2-yl]oxy-1-benzofuran-6-carboxamide
PubChem CID90665745
Molecular FormulaC25H24N6O4
Molecular Weight472.51 g/mol
Exact Mass472.19
IUPAC Name2-methyl-N-(5-methylpyrazin-2-yl)-4-[5-(piperidine-1-carbonyl)pyrazin-2-yl]oxy-1-benzofuran-6-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N4CCCCC4)cn3)c3cc(C)oc3c2)cn1
InChIInChI=1S/C25H24N6O4/c1-15-11-28-22(13-26-15)30-24(32)17-9-20-18(8-16(2)34-20)21(10-17)35-23-14-27-19(12-29-23)25(33)31-6-4-3-5-7-31/h8-14H,3-7H2,1-2H3,(H,28,30,32)
InChIKeyQKNHXFWGHFJTSR-UHFFFAOYSA-N
XLogP4.30
TPSA123.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 54.30
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-(piperidine-1-carbonyl)pyrazin-2-yl]oxy-1-benzofuran-6-carboxamide?
The IUPAC name of 2-methyl-N-(5-methylpyrazin-2-yl)-4-[5-(piperidine-1-carbonyl)pyrazin-2-yl]oxy-1-benzofuran-6-carboxamide (CID 90665745) is 2-methyl-N-(5-methylpyrazin-2-yl)-4-[5-(piperidine-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-(piperidine-1-carbonyl)pyrazin-2-yl]oxy-1-benzofuran-6-carboxamide?
The canonical SMILES for 2-methyl-N-(5-methylpyrazin-2-yl)-4-[5-(piperidine-1-carbonyl)pyrazin-2-yl]oxy-1-benzofuran-6-carboxamide is Cc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N4CCCCC4)cn3)c3cc(C)oc3c2)cn1.
What is the InChIKey of 2-methyl-N-(5-methylpyrazin-2-yl)-4-[5-(piperidine-1-carbonyl)pyrazin-2-yl]oxy-1-benzofuran-6-carboxamide?
The InChIKey is QKNHXFWGHFJTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O4/c1-15-11-28-22(13-26-15)30-24(32)17-9-20-18(8-16(2)34-20)21(10-17)35-23-14-27-19(12-29-23)25(33)31-6-4-3-5-7-31/h8-14H,3-7H2,1-2H3,(H,28,30,32).
What are the key properties of 2-methyl-N-(5-methylpyrazin-2-yl)-4-[5-(piperidine-1-carbonyl)pyrazin-2-yl]oxy-1-benzofuran-6-carboxamide?
2-methyl-N-(5-methylpyrazin-2-yl)-4-[5-(piperidine-1-carbonyl)pyrazin-2-yl]oxy-1-benzofuran-6-carboxamide has a molecular weight of 472.51 g/mol, XLogP of 4.30, 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-(piperidine-1-carbonyl)pyrazin-2-yl]oxy-1-benzofuran-6-carboxamide is sourced from PubChem (CID 90665745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).