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

C23H22N6O4 — CID 59483313

IUPACN-ethyl-N-methyl-5-[[2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide
SMILESCCN(C)C(=O)c1cnc(Oc2cc(C(=O)Nc3cnc(C)cn3)cc3oc(C)cc23)cn1
InChIInChI=1S/C23H22N6O4/c1-5-29(4)23(31)17-10-27-21(12-25-17)33-19-8-15(7-18-16(19)6-14(3)32-18)22(30)28-20-11-24-13(2)9-26-20/h6-12H,5H2,1-4H3,(H,26,28,30)
InChIKeyFWJZEJHVAJFEPN-UHFFFAOYSA-N
MW446.47 g/mol
LogP3.77
Rot. Bonds6

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

N-ethyl-N-methyl-5-[[2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide (PubChem CID 59483313) has the molecular formula C23H22N6O4 and a molecular weight of 446.47 g/mol. Its IUPAC name is N-ethyl-N-methyl-5-[[2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-5-[[2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide
PubChem CID59483313
Molecular FormulaC23H22N6O4
Molecular Weight446.47 g/mol
Exact Mass446.17
IUPAC NameN-ethyl-N-methyl-5-[[2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide
SMILESCCN(C)C(=O)c1cnc(Oc2cc(C(=O)Nc3cnc(C)cn3)cc3oc(C)cc23)cn1
InChIInChI=1S/C23H22N6O4/c1-5-29(4)23(31)17-10-27-21(12-25-17)33-19-8-15(7-18-16(19)6-14(3)32-18)22(30)28-20-11-24-13(2)9-26-20/h6-12H,5H2,1-4H3,(H,26,28,30)
InChIKeyFWJZEJHVAJFEPN-UHFFFAOYSA-N
XLogP3.77
TPSA123.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Azd-1656
CID 16039797
Pf-04937319
CID 46916694
N,N-dimethyl-5-(2-methyl-6-((5-methylpyrazin-2-yl)carbamoyl)benzofuran-4-yloxy)pyrazine-2-carboxamide
CID 46916741
4-[4-(dimethylcarbamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)-1-benzofuran-6-carboxamide
CID 90665739
N,N-dimethyl-5-[[2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyridine-2-carboxamide
CID 90665740
4-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)-1-benzofuran-6-carboxamide
CID 90665743
2-methyl-N-(5-methylpyrazin-2-yl)-4-[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]oxy-1-benzofuran-6-carboxamide
CID 90665744
2-methyl-N-(5-methylpyrazin-2-yl)-4-[5-(piperidine-1-carbonyl)pyrazin-2-yl]oxy-1-benzofuran-6-carboxamide
CID 90665745
2-methyl-4-[5-(3-methylazetidine-1-carbonyl)pyrazin-2-yl]oxy-N-pyrazin-2-yl-1-benzofuran-6-carboxamide
CID 90665746
4-[[5-[(3,3-Dimethyl-1-azetidinyl)carbonyl]-2-pyrazinyl]oxy]-2-methyl-N-2-pyrazinyl-6-benzofurancarboxamide
CID 90665747
N,N-dimethyl-5-[[2-methyl-6-[(5-methyl-2-pyridinyl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide
CID 90665751
N,N-dimethyl-5-[[2-methyl-6-(pyrazin-2-ylcarbamoyl)-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide
CID 90665752

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-5-[[2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide?
The IUPAC name of N-ethyl-N-methyl-5-[[2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide (CID 59483313) is N-ethyl-N-methyl-5-[[2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-methyl-5-[[2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide?
The canonical SMILES for N-ethyl-N-methyl-5-[[2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide is CCN(C)C(=O)c1cnc(Oc2cc(C(=O)Nc3cnc(C)cn3)cc3oc(C)cc23)cn1.
What is the InChIKey of N-ethyl-N-methyl-5-[[2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide?
The InChIKey is FWJZEJHVAJFEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O4/c1-5-29(4)23(31)17-10-27-21(12-25-17)33-19-8-15(7-18-16(19)6-14(3)32-18)22(30)28-20-11-24-13(2)9-26-20/h6-12H,5H2,1-4H3,(H,26,28,30).
What are the key properties of N-ethyl-N-methyl-5-[[2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide?
N-ethyl-N-methyl-5-[[2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide has a molecular weight of 446.47 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-5-[[2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide is sourced from PubChem (CID 59483313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).