[2-[benzyl(methyl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate

C16H17N3O4 — CID 55734635

IUPAC[2-[benzyl(methyl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C16H17N3O4/c1-18(10-12-6-4-3-5-7-12)15(21)11-23-16(22)13-8-9-14(20)19(2)17-13/h3-9H,10-11H2,1-2H3
InChIKeyDUJHVXGZBIYOME-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.60
Rot. Bonds5

About [2-[benzyl(methyl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate

[2-[benzyl(methyl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate (PubChem CID 55734635) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate
PubChem CID55734635
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name[2-[benzyl(methyl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C16H17N3O4/c1-18(10-12-6-4-3-5-7-12)15(21)11-23-16(22)13-8-9-14(20)19(2)17-13/h3-9H,10-11H2,1-2H3
InChIKeyDUJHVXGZBIYOME-UHFFFAOYSA-N
XLogP0.60
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[benzyl(methyl)amino]-2-oxoethyl] 1,3-diphenylpyrazole-5-carboxylate
CID 18273670
N-benzyl-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide
CID 42161824
[2-[benzyl(methyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8544093
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-phenylacetate
CID 55319362
[2-[benzyl(methyl)amino]-2-oxoethyl] propanoate
CID 57155799
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 55400244
[2-[benzyl(methyl)amino]-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate
CID 9125437
N-benzyl-1-methyl-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 30992788
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2390297
1-methyl-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 42161813
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 46648948
[2-(2-bromoanilino)-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate
CID 55734600

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate?
The IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate (CID 55734635) is [2-[benzyl(methyl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate.
What is the SMILES notation for [2-[benzyl(methyl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate?
The canonical SMILES for [2-[benzyl(methyl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate is CN(Cc1ccccc1)C(=O)COC(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of [2-[benzyl(methyl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate?
The InChIKey is DUJHVXGZBIYOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-18(10-12-6-4-3-5-7-12)15(21)11-23-16(22)13-8-9-14(20)19(2)17-13/h3-9H,10-11H2,1-2H3.
What are the key properties of [2-[benzyl(methyl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate?
[2-[benzyl(methyl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate has a molecular weight of 315.33 g/mol, XLogP of 0.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 55734635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).