N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]propanamide

C17H21N3O2 — CID 42138705

IUPACN-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]propanamide
SMILESCCC(=O)NCCCn1nc(-c2ccc(C)cc2)ccc1=O
InChIInChI=1S/C17H21N3O2/c1-3-16(21)18-11-4-12-20-17(22)10-9-15(19-20)14-7-5-13(2)6-8-14/h5-10H,3-4,11-12H2,1-2H3,(H,18,21)
InChIKeyKVPXKSRNKKNVHH-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.14
Rot. Bonds6

About N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]propanamide

N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]propanamide (PubChem CID 42138705) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]propanamide.

Molecular Properties

Compound NameN-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]propanamide
PubChem CID42138705
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]propanamide
SMILESCCC(=O)NCCCn1nc(-c2ccc(C)cc2)ccc1=O
InChIInChI=1S/C17H21N3O2/c1-3-16(21)18-11-4-12-20-17(22)10-9-15(19-20)14-7-5-13(2)6-8-14/h5-10H,3-4,11-12H2,1-2H3,(H,18,21)
InChIKeyKVPXKSRNKKNVHH-UHFFFAOYSA-N
XLogP2.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]propanamide?
The IUPAC name of N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]propanamide (CID 42138705) is N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]propanamide.
What is the SMILES notation for N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]propanamide?
The canonical SMILES for N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]propanamide is CCC(=O)NCCCn1nc(-c2ccc(C)cc2)ccc1=O.
What is the InChIKey of N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]propanamide?
The InChIKey is KVPXKSRNKKNVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-16(21)18-11-4-12-20-17(22)10-9-15(19-20)14-7-5-13(2)6-8-14/h5-10H,3-4,11-12H2,1-2H3,(H,18,21).
What are the key properties of N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]propanamide?
N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]propanamide has a molecular weight of 299.37 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]propanamide is sourced from PubChem (CID 42138705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).