N,N-dimethyl-5-[[2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide

C22H20N6O4 — CID 46916741

IUPACN,N-dimethyl-5-[[2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N(C)C)cn3)c3cc(C)oc3c2)cn1
InChIInChI=1S/C22H20N6O4/c1-12-8-25-19(10-23-12)27-21(29)14-6-17-15(5-13(2)31-17)18(7-14)32-20-11-24-16(9-26-20)22(30)28(3)4/h5-11H,1-4H3,(H,25,27,29)
InChIKeyDWVPDUMIGCPRPB-UHFFFAOYSA-N
MW432.44 g/mol
LogP3.38
Rot. Bonds5

About N,N-dimethyl-5-[[2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide

N,N-dimethyl-5-[[2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide (PubChem CID 46916741) has the molecular formula C22H20N6O4 and a molecular weight of 432.44 g/mol. Its IUPAC name is N,N-dimethyl-5-[[2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[[2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide
PubChem CID46916741
Molecular FormulaC22H20N6O4
Molecular Weight432.44 g/mol
Exact Mass432.15
IUPAC NameN,N-dimethyl-5-[[2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N(C)C)cn3)c3cc(C)oc3c2)cn1
InChIInChI=1S/C22H20N6O4/c1-12-8-25-19(10-23-12)27-21(29)14-6-17-15(5-13(2)31-17)18(7-14)32-20-11-24-16(9-26-20)22(30)28(3)4/h5-11H,1-4H3,(H,25,27,29)
InChIKeyDWVPDUMIGCPRPB-UHFFFAOYSA-N
XLogP3.38
TPSA123.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide?
The IUPAC name of N,N-dimethyl-5-[[2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide (CID 46916741) is N,N-dimethyl-5-[[2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[[2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[[2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide is Cc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N(C)C)cn3)c3cc(C)oc3c2)cn1.
What is the InChIKey of N,N-dimethyl-5-[[2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide?
The InChIKey is DWVPDUMIGCPRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O4/c1-12-8-25-19(10-23-12)27-21(29)14-6-17-15(5-13(2)31-17)18(7-14)32-20-11-24-16(9-26-20)22(30)28(3)4/h5-11H,1-4H3,(H,25,27,29).
What are the key properties of N,N-dimethyl-5-[[2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide?
N,N-dimethyl-5-[[2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide has a molecular weight of 432.44 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide is sourced from PubChem (CID 46916741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).