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

C18H17N3O3 — CID 6485768

IUPACN-(2,3-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)Cn2nc(-c3ccco3)ccc2=O)c1C
InChIInChI=1S/C18H17N3O3/c1-12-5-3-6-14(13(12)2)19-17(22)11-21-18(23)9-8-15(20-21)16-7-4-10-24-16/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyXRNDLBRMWMJMOY-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.76
Rot. Bonds4

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

N-(2,3-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 6485768) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
PubChem CID6485768
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-(2,3-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)Cn2nc(-c3ccco3)ccc2=O)c1C
InChIInChI=1S/C18H17N3O3/c1-12-5-3-6-14(13(12)2)19-17(22)11-21-18(23)9-8-15(20-21)16-7-4-10-24-16/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyXRNDLBRMWMJMOY-UHFFFAOYSA-N
XLogP2.76
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide (CID 6485768) is N-(2,3-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide is Cc1cccc(NC(=O)Cn2nc(-c3ccco3)ccc2=O)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is XRNDLBRMWMJMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-5-3-6-14(13(12)2)19-17(22)11-21-18(23)9-8-15(20-21)16-7-4-10-24-16/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of N-(2,3-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
N-(2,3-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 323.35 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 6485768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).