N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide

C18H17N3O3 — CID 5068264

IUPACN-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccco3)n2)cc1
InChIInChI=1S/C18H17N3O3/c1-13-4-6-14(7-5-13)16-8-9-18(23)21(20-16)12-17(22)19-11-15-3-2-10-24-15/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyNMXSZDUTQGGQGY-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.13
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide

N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 5068264) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID5068264
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccco3)n2)cc1
InChIInChI=1S/C18H17N3O3/c1-13-4-6-14(7-5-13)16-8-9-18(23)21(20-16)12-17(22)19-11-15-3-2-10-24-15/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyNMXSZDUTQGGQGY-UHFFFAOYSA-N
XLogP2.13
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (CID 5068264) is N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide is Cc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccco3)n2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is NMXSZDUTQGGQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-13-4-6-14(7-5-13)16-8-9-18(23)21(20-16)12-17(22)19-11-15-3-2-10-24-15/h2-10H,11-12H2,1H3,(H,19,22).
What are the key properties of N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 323.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 5068264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).