N-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-oxopropanamide

C24H26FN3O5 — CID 54321574

IUPACN-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-oxopropanamide
SMILESCCC1CC(=O)N(Cc2ccc(NC(=O)C(C)=O)cc2)N=C1c1ccc(OC)c(OCF)c1
InChIInChI=1S/C24H26FN3O5/c1-4-17-12-22(30)28(13-16-5-8-19(9-6-16)26-24(31)15(2)29)27-23(17)18-7-10-20(32-3)21(11-18)33-14-25/h5-11,17H,4,12-14H2,1-3H3,(H,26,31)
InChIKeySSAWVIAVXUSBRF-UHFFFAOYSA-N
MW455.49 g/mol
LogP3.69
Rot. Bonds9

About N-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-oxopropanamide

N-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-oxopropanamide (PubChem CID 54321574) has the molecular formula C24H26FN3O5 and a molecular weight of 455.49 g/mol. Its IUPAC name is N-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-oxopropanamide.

Molecular Properties

Compound NameN-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-oxopropanamide
PubChem CID54321574
Molecular FormulaC24H26FN3O5
Molecular Weight455.49 g/mol
Exact Mass455.19
IUPAC NameN-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-oxopropanamide
SMILESCCC1CC(=O)N(Cc2ccc(NC(=O)C(C)=O)cc2)N=C1c1ccc(OC)c(OCF)c1
InChIInChI=1S/C24H26FN3O5/c1-4-17-12-22(30)28(13-16-5-8-19(9-6-16)26-24(31)15(2)29)27-23(17)18-7-10-20(32-3)21(11-18)33-14-25/h5-11,17H,4,12-14H2,1-3H3,(H,26,31)
InChIKeySSAWVIAVXUSBRF-UHFFFAOYSA-N
XLogP3.69
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-oxopropanamide?
The IUPAC name of N-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-oxopropanamide (CID 54321574) is N-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-oxopropanamide.
What is the SMILES notation for N-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-oxopropanamide?
The canonical SMILES for N-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-oxopropanamide is CCC1CC(=O)N(Cc2ccc(NC(=O)C(C)=O)cc2)N=C1c1ccc(OC)c(OCF)c1.
What is the InChIKey of N-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-oxopropanamide?
The InChIKey is SSAWVIAVXUSBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O5/c1-4-17-12-22(30)28(13-16-5-8-19(9-6-16)26-24(31)15(2)29)27-23(17)18-7-10-20(32-3)21(11-18)33-14-25/h5-11,17H,4,12-14H2,1-3H3,(H,26,31).
What are the key properties of N-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-oxopropanamide?
N-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-oxopropanamide has a molecular weight of 455.49 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-oxopropanamide is sourced from PubChem (CID 54321574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).