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

C22H31N3O2 — CID 24789932

IUPACN-cycloheptyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
SMILESCCc1ccc(C2=NN(CCC(=O)NC3CCCCCC3)C(=O)CC2)cc1
InChIInChI=1S/C22H31N3O2/c1-2-17-9-11-18(12-10-17)20-13-14-22(27)25(24-20)16-15-21(26)23-19-7-5-3-4-6-8-19/h9-12,19H,2-8,13-16H2,1H3,(H,23,26)
InChIKeyFRABMLMTHLPHSK-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.80
Rot. Bonds6

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

N-cycloheptyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide (PubChem CID 24789932) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-cycloheptyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
PubChem CID24789932
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC NameN-cycloheptyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
SMILESCCc1ccc(C2=NN(CCC(=O)NC3CCCCCC3)C(=O)CC2)cc1
InChIInChI=1S/C22H31N3O2/c1-2-17-9-11-18(12-10-17)20-13-14-22(27)25(24-20)16-15-21(26)23-19-7-5-3-4-6-8-19/h9-12,19H,2-8,13-16H2,1H3,(H,23,26)
InChIKeyFRABMLMTHLPHSK-UHFFFAOYSA-N
XLogP3.80
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide?
The IUPAC name of N-cycloheptyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide (CID 24789932) is N-cycloheptyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide.
What is the SMILES notation for N-cycloheptyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide?
The canonical SMILES for N-cycloheptyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide is CCc1ccc(C2=NN(CCC(=O)NC3CCCCCC3)C(=O)CC2)cc1.
What is the InChIKey of N-cycloheptyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide?
The InChIKey is FRABMLMTHLPHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-2-17-9-11-18(12-10-17)20-13-14-22(27)25(24-20)16-15-21(26)23-19-7-5-3-4-6-8-19/h9-12,19H,2-8,13-16H2,1H3,(H,23,26).
What are the key properties of N-cycloheptyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide?
N-cycloheptyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide has a molecular weight of 369.51 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide is sourced from PubChem (CID 24789932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).