N-butyl-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide

C18H25N3O2 — CID 122176524

IUPACN-butyl-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
SMILESCCCCNC(=O)CCN1N=C(c2ccc(C)cc2)CCC1=O
InChIInChI=1S/C18H25N3O2/c1-3-4-12-19-17(22)11-13-21-18(23)10-9-16(20-21)15-7-5-14(2)6-8-15/h5-8H,3-4,9-13H2,1-2H3,(H,19,22)
InChIKeyJWOSOZUPOCQBIT-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.63
Rot. Bonds7

About N-butyl-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide

N-butyl-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide (PubChem CID 122176524) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-butyl-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-butyl-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
PubChem CID122176524
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-butyl-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
SMILESCCCCNC(=O)CCN1N=C(c2ccc(C)cc2)CCC1=O
InChIInChI=1S/C18H25N3O2/c1-3-4-12-19-17(22)11-13-21-18(23)10-9-16(20-21)15-7-5-14(2)6-8-15/h5-8H,3-4,9-13H2,1-2H3,(H,19,22)
InChIKeyJWOSOZUPOCQBIT-UHFFFAOYSA-N
XLogP2.63
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-butyl-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide?
The IUPAC name of N-butyl-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide (CID 122176524) is N-butyl-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide.
What is the SMILES notation for N-butyl-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide?
The canonical SMILES for N-butyl-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide is CCCCNC(=O)CCN1N=C(c2ccc(C)cc2)CCC1=O.
What is the InChIKey of N-butyl-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide?
The InChIKey is JWOSOZUPOCQBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-3-4-12-19-17(22)11-13-21-18(23)10-9-16(20-21)15-7-5-14(2)6-8-15/h5-8H,3-4,9-13H2,1-2H3,(H,19,22).
What are the key properties of N-butyl-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide?
N-butyl-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide has a molecular weight of 315.42 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide is sourced from PubChem (CID 122176524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).