N-(furan-2-ylmethyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide

C15H13N3O4 — CID 7659454

IUPACN-(furan-2-ylmethyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2ccco2)ccc1=O)NCc1ccco1
InChIInChI=1S/C15H13N3O4/c19-14(16-9-11-3-1-7-21-11)10-18-15(20)6-5-12(17-18)13-4-2-8-22-13/h1-8H,9-10H2,(H,16,19)
InChIKeyLRCOABDCXHBGHS-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.41
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide

N-(furan-2-ylmethyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 7659454) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
PubChem CID7659454
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC NameN-(furan-2-ylmethyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2ccco2)ccc1=O)NCc1ccco1
InChIInChI=1S/C15H13N3O4/c19-14(16-9-11-3-1-7-21-11)10-18-15(20)6-5-12(17-18)13-4-2-8-22-13/h1-8H,9-10H2,(H,16,19)
InChIKeyLRCOABDCXHBGHS-UHFFFAOYSA-N
XLogP1.41
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide (CID 7659454) is N-(furan-2-ylmethyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide is O=C(Cn1nc(-c2ccco2)ccc1=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is LRCOABDCXHBGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c19-14(16-9-11-3-1-7-21-11)10-18-15(20)6-5-12(17-18)13-4-2-8-22-13/h1-8H,9-10H2,(H,16,19).
What are the key properties of N-(furan-2-ylmethyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
N-(furan-2-ylmethyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 299.29 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 7659454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).