2-phenyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]acetamide

C15H16N4O — CID 113038209

IUPAC2-phenyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]acetamide
SMILESC=CCNc1ccc(NC(=O)Cc2ccccc2)nn1
InChIInChI=1S/C15H16N4O/c1-2-10-16-13-8-9-14(19-18-13)17-15(20)11-12-6-4-3-5-7-12/h2-9H,1,10-11H2,(H,16,18)(H,17,19,20)
InChIKeyOGBBEIYOMGEPGR-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.26
Rot. Bonds6

About 2-phenyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]acetamide

2-phenyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]acetamide (PubChem CID 113038209) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-phenyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]acetamide
PubChem CID113038209
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-phenyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]acetamide
SMILESC=CCNc1ccc(NC(=O)Cc2ccccc2)nn1
InChIInChI=1S/C15H16N4O/c1-2-10-16-13-8-9-14(19-18-13)17-15(20)11-12-6-4-3-5-7-12/h2-9H,1,10-11H2,(H,16,18)(H,17,19,20)
InChIKeyOGBBEIYOMGEPGR-UHFFFAOYSA-N
XLogP2.26
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-phenyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(prop-2-enylamino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113038208
2-phenyl-N-[6-(propylamino)pyridazin-3-yl]acetamide
CID 113037818
3-methyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]butanamide
CID 113038178
N-[6-(prop-2-enylamino)pyridazin-3-yl]pentanamide
CID 113038177
N-(6-ethylpyridazin-3-yl)-2-phenylacetamide
CID 123748541
N-(4-phenylmethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110344
N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]-2-phenylacetamide
CID 113040992
2-[(2-phenylacetyl)amino]-N-prop-2-enylbenzamide
CID 3915249
2-phenyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
CID 113041186
2-(4-chlorophenyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide
CID 113009343
3,4-dichloro-N-[6-(prop-2-enylamino)pyridazin-3-yl]benzamide
CID 113038199
N-[2-oxo-2-(prop-2-enylamino)ethyl]-2-phenylacetamide
CID 9442349

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]acetamide?
The IUPAC name of 2-phenyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]acetamide (CID 113038209) is 2-phenyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-phenyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]acetamide?
The canonical SMILES for 2-phenyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]acetamide is C=CCNc1ccc(NC(=O)Cc2ccccc2)nn1.
What is the InChIKey of 2-phenyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]acetamide?
The InChIKey is OGBBEIYOMGEPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-10-16-13-8-9-14(19-18-13)17-15(20)11-12-6-4-3-5-7-12/h2-9H,1,10-11H2,(H,16,18)(H,17,19,20).
What are the key properties of 2-phenyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]acetamide?
2-phenyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]acetamide has a molecular weight of 268.32 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]acetamide is sourced from PubChem (CID 113038209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).