2-(6-oxo-3-phenylpyridazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide

C19H24N4O2 — CID 4072843

IUPAC2-(6-oxo-3-phenylpyridazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)NCCCN1CCCC1
InChIInChI=1S/C19H24N4O2/c24-18(20-11-6-14-22-12-4-5-13-22)15-23-19(25)10-9-17(21-23)16-7-2-1-3-8-16/h1-3,7-10H,4-6,11-15H2,(H,20,24)
InChIKeyFVQSFIGHBLKSFI-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.51
Rot. Bonds7

About 2-(6-oxo-3-phenylpyridazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide

2-(6-oxo-3-phenylpyridazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide (PubChem CID 4072843) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-(6-oxo-3-phenylpyridazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(6-oxo-3-phenylpyridazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
PubChem CID4072843
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-(6-oxo-3-phenylpyridazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)NCCCN1CCCC1
InChIInChI=1S/C19H24N4O2/c24-18(20-11-6-14-22-12-4-5-13-22)15-23-19(25)10-9-17(21-23)16-7-2-1-3-8-16/h1-3,7-10H,4-6,11-15H2,(H,20,24)
InChIKeyFVQSFIGHBLKSFI-UHFFFAOYSA-N
XLogP1.51
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-3-phenylpyridazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The IUPAC name of 2-(6-oxo-3-phenylpyridazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide (CID 4072843) is 2-(6-oxo-3-phenylpyridazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(6-oxo-3-phenylpyridazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(6-oxo-3-phenylpyridazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide is O=C(Cn1nc(-c2ccccc2)ccc1=O)NCCCN1CCCC1.
What is the InChIKey of 2-(6-oxo-3-phenylpyridazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The InChIKey is FVQSFIGHBLKSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-18(20-11-6-14-22-12-4-5-13-22)15-23-19(25)10-9-17(21-23)16-7-2-1-3-8-16/h1-3,7-10H,4-6,11-15H2,(H,20,24).
What are the key properties of 2-(6-oxo-3-phenylpyridazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide?
2-(6-oxo-3-phenylpyridazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide has a molecular weight of 340.43 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-3-phenylpyridazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide is sourced from PubChem (CID 4072843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).