N-heptyl-2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide

C20H29N3O2 — CID 20968344

IUPACN-heptyl-2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
SMILESCCCCCCCNC(=O)CN1N=C(c2ccc(C)cc2)CCC1=O
InChIInChI=1S/C20H29N3O2/c1-3-4-5-6-7-14-21-19(24)15-23-20(25)13-12-18(22-23)17-10-8-16(2)9-11-17/h8-11H,3-7,12-15H2,1-2H3,(H,21,24)
InChIKeyUUFMBNIQHKHJMQ-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.41
Rot. Bonds9

About N-heptyl-2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide

N-heptyl-2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide (PubChem CID 20968344) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-heptyl-2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-heptyl-2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
PubChem CID20968344
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-heptyl-2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
SMILESCCCCCCCNC(=O)CN1N=C(c2ccc(C)cc2)CCC1=O
InChIInChI=1S/C20H29N3O2/c1-3-4-5-6-7-14-21-19(24)15-23-20(25)13-12-18(22-23)17-10-8-16(2)9-11-17/h8-11H,3-7,12-15H2,1-2H3,(H,21,24)
InChIKeyUUFMBNIQHKHJMQ-UHFFFAOYSA-N
XLogP3.41
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.41
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-heptyl-2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide?
The IUPAC name of N-heptyl-2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide (CID 20968344) is N-heptyl-2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide.
What is the SMILES notation for N-heptyl-2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide?
The canonical SMILES for N-heptyl-2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide is CCCCCCCNC(=O)CN1N=C(c2ccc(C)cc2)CCC1=O.
What is the InChIKey of N-heptyl-2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide?
The InChIKey is UUFMBNIQHKHJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-3-4-5-6-7-14-21-19(24)15-23-20(25)13-12-18(22-23)17-10-8-16(2)9-11-17/h8-11H,3-7,12-15H2,1-2H3,(H,21,24).
What are the key properties of N-heptyl-2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide?
N-heptyl-2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide has a molecular weight of 343.47 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide is sourced from PubChem (CID 20968344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).