N-butyl-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide

C17H23N3O2 — CID 15992445

IUPACN-butyl-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide
SMILESCCCCNC(=O)CCN1N=C(c2ccccc2)CCC1=O
InChIInChI=1S/C17H23N3O2/c1-2-3-12-18-16(21)11-13-20-17(22)10-9-15(19-20)14-7-5-4-6-8-14/h4-8H,2-3,9-13H2,1H3,(H,18,21)
InChIKeyBKHXXPDIUJEAPF-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.32
Rot. Bonds7

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

N-butyl-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide (PubChem CID 15992445) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-butyl-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-butyl-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide
PubChem CID15992445
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-butyl-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide
SMILESCCCCNC(=O)CCN1N=C(c2ccccc2)CCC1=O
InChIInChI=1S/C17H23N3O2/c1-2-3-12-18-16(21)11-13-20-17(22)10-9-15(19-20)14-7-5-4-6-8-14/h4-8H,2-3,9-13H2,1H3,(H,18,21)
InChIKeyBKHXXPDIUJEAPF-UHFFFAOYSA-N
XLogP2.32
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.32
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-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide?
The IUPAC name of N-butyl-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide (CID 15992445) is N-butyl-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide.
What is the SMILES notation for N-butyl-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide?
The canonical SMILES for N-butyl-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide is CCCCNC(=O)CCN1N=C(c2ccccc2)CCC1=O.
What is the InChIKey of N-butyl-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide?
The InChIKey is BKHXXPDIUJEAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-2-3-12-18-16(21)11-13-20-17(22)10-9-15(19-20)14-7-5-4-6-8-14/h4-8H,2-3,9-13H2,1H3,(H,18,21).
What are the key properties of N-butyl-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide?
N-butyl-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide has a molecular weight of 301.39 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide is sourced from PubChem (CID 15992445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).