N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]oxolane-2-carboxamide

C15H17N3O4 — CID 16668615

IUPACN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]oxolane-2-carboxamide
SMILESO=C(NCCn1nc(-c2ccco2)ccc1=O)C1CCCO1
InChIInChI=1S/C15H17N3O4/c19-14-6-5-11(12-3-1-9-21-12)17-18(14)8-7-16-15(20)13-4-2-10-22-13/h1,3,5-6,9,13H,2,4,7-8,10H2,(H,16,20)
InChIKeyTXZXYUJHOIANBY-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.80
Rot. Bonds5

About N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]oxolane-2-carboxamide

N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]oxolane-2-carboxamide (PubChem CID 16668615) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]oxolane-2-carboxamide
PubChem CID16668615
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC NameN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]oxolane-2-carboxamide
SMILESO=C(NCCn1nc(-c2ccco2)ccc1=O)C1CCCO1
InChIInChI=1S/C15H17N3O4/c19-14-6-5-11(12-3-1-9-21-12)17-18(14)8-7-16-15(20)13-4-2-10-22-13/h1,3,5-6,9,13H,2,4,7-8,10H2,(H,16,20)
InChIKeyTXZXYUJHOIANBY-UHFFFAOYSA-N
XLogP0.80
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]oxolane-2-carboxamide (CID 16668615) is N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]oxolane-2-carboxamide is O=C(NCCn1nc(-c2ccco2)ccc1=O)C1CCCO1.
What is the InChIKey of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]oxolane-2-carboxamide?
The InChIKey is TXZXYUJHOIANBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c19-14-6-5-11(12-3-1-9-21-12)17-18(14)8-7-16-15(20)13-4-2-10-22-13/h1,3,5-6,9,13H,2,4,7-8,10H2,(H,16,20).
What are the key properties of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]oxolane-2-carboxamide?
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]oxolane-2-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 16668615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).