2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide

C19H18N6O4 — CID 46961048

IUPAC2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)Cn3nc(-c4ccco4)cc(N)c3=O)ccc21
InChIInChI=1S/C19H18N6O4/c1-23-14-6-5-11(8-15(14)24(2)19(23)28)21-17(26)10-25-18(27)12(20)9-13(22-25)16-4-3-7-29-16/h3-9H,10,20H2,1-2H3,(H,21,26)
InChIKeyAYSWRFCJISUTTM-UHFFFAOYSA-N
MW394.39 g/mol
LogP0.91
Rot. Bonds4

About 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide

2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide (PubChem CID 46961048) has the molecular formula C19H18N6O4 and a molecular weight of 394.39 g/mol. Its IUPAC name is 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
PubChem CID46961048
Molecular FormulaC19H18N6O4
Molecular Weight394.39 g/mol
Exact Mass394.14
IUPAC Name2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)Cn3nc(-c4ccco4)cc(N)c3=O)ccc21
InChIInChI=1S/C19H18N6O4/c1-23-14-6-5-11(8-15(14)24(2)19(23)28)21-17(26)10-25-18(27)12(20)9-13(22-25)16-4-3-7-29-16/h3-9H,10,20H2,1-2H3,(H,21,26)
InChIKeyAYSWRFCJISUTTM-UHFFFAOYSA-N
XLogP0.91
TPSA130.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
The IUPAC name of 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide (CID 46961048) is 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide is Cn1c(=O)n(C)c2cc(NC(=O)Cn3nc(-c4ccco4)cc(N)c3=O)ccc21.
What is the InChIKey of 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
The InChIKey is AYSWRFCJISUTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O4/c1-23-14-6-5-11(8-15(14)24(2)19(23)28)21-17(26)10-25-18(27)12(20)9-13(22-25)16-4-3-7-29-16/h3-9H,10,20H2,1-2H3,(H,21,26).
What are the key properties of 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide has a molecular weight of 394.39 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 46961048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).