2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide

C16H13N3O2 — CID 7664732

IUPAC2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
SMILESNC(=O)Cn1nc(-c2cccc3ccccc23)ccc1=O
InChIInChI=1S/C16H13N3O2/c17-15(20)10-19-16(21)9-8-14(18-19)13-7-3-5-11-4-1-2-6-12(11)13/h1-9H,10H2,(H2,17,20)
InChIKeyOHZHLYZSAPPZGG-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.55
Rot. Bonds3

About 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide

2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide (PubChem CID 7664732) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
PubChem CID7664732
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
SMILESNC(=O)Cn1nc(-c2cccc3ccccc23)ccc1=O
InChIInChI=1S/C16H13N3O2/c17-15(20)10-19-16(21)9-8-14(18-19)13-7-3-5-11-4-1-2-6-12(11)13/h1-9H,10H2,(H2,17,20)
InChIKeyOHZHLYZSAPPZGG-UHFFFAOYSA-N
XLogP1.55
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide?
The IUPAC name of 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide (CID 7664732) is 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide is NC(=O)Cn1nc(-c2cccc3ccccc23)ccc1=O.
What is the InChIKey of 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide?
The InChIKey is OHZHLYZSAPPZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c17-15(20)10-19-16(21)9-8-14(18-19)13-7-3-5-11-4-1-2-6-12(11)13/h1-9H,10H2,(H2,17,20).
What are the key properties of 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide?
2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide has a molecular weight of 279.30 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 7664732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).