[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate

C17H21N3O4 — CID 2483388

IUPAC[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate
SMILESCC(C)N(Cc1ccccc1)C(=O)COC(=O)C1=CCC(=O)NN1
InChIInChI=1S/C17H21N3O4/c1-12(2)20(10-13-6-4-3-5-7-13)16(22)11-24-17(23)14-8-9-15(21)19-18-14/h3-8,12,18H,9-11H2,1-2H3,(H,19,21)
InChIKeyFESDLDRASGPAMZ-UHFFFAOYSA-N
MW331.37 g/mol
LogP0.88
Rot. Bonds6

About [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate

[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate (PubChem CID 2483388) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate.

Molecular Properties

Compound Name[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate
PubChem CID2483388
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate
SMILESCC(C)N(Cc1ccccc1)C(=O)COC(=O)C1=CCC(=O)NN1
InChIInChI=1S/C17H21N3O4/c1-12(2)20(10-13-6-4-3-5-7-13)16(22)11-24-17(23)14-8-9-15(21)19-18-14/h3-8,12,18H,9-11H2,1-2H3,(H,19,21)
InChIKeyFESDLDRASGPAMZ-UHFFFAOYSA-N
XLogP0.88
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate with MolForge

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Related Compounds

[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate
CID 2397528
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-bromo-1H-pyrrole-2-carboxylate
CID 18203691
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] quinoline-2-carboxylate
CID 2630730
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-phenoxybenzoate
CID 2511443
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7277099
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 7785504
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-bromo-5-fluorobenzoate
CID 55404716
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2620401
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 42968173
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate
CID 42986162
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 42968222
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 5-chloro-1,3-dimethylpyrazole-4-carboxylate
CID 46693511

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate?
The IUPAC name of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate (CID 2483388) is [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate.
What is the SMILES notation for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate?
The canonical SMILES for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate is CC(C)N(Cc1ccccc1)C(=O)COC(=O)C1=CCC(=O)NN1.
What is the InChIKey of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate?
The InChIKey is FESDLDRASGPAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-12(2)20(10-13-6-4-3-5-7-13)16(22)11-24-17(23)14-8-9-15(21)19-18-14/h3-8,12,18H,9-11H2,1-2H3,(H,19,21).
What are the key properties of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate?
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate has a molecular weight of 331.37 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate is sourced from PubChem (CID 2483388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).