[2-(2,6-dimethylanilino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate

C15H17N3O4 — CID 7203173

IUPAC[2-(2,6-dimethylanilino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
SMILESCc1cccc(C)c1NC(=O)COC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C15H17N3O4/c1-9-4-3-5-10(2)14(9)16-13(20)8-22-15(21)11-6-7-12(19)18-17-11/h3-5H,6-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyMYVQERAAZNMEOS-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.05
Rot. Bonds4

About [2-(2,6-dimethylanilino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate

[2-(2,6-dimethylanilino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate (PubChem CID 7203173) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is [2-(2,6-dimethylanilino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate.

Molecular Properties

Compound Name[2-(2,6-dimethylanilino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
PubChem CID7203173
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name[2-(2,6-dimethylanilino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
SMILESCc1cccc(C)c1NC(=O)COC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C15H17N3O4/c1-9-4-3-5-10(2)14(9)16-13(20)8-22-15(21)11-6-7-12(19)18-17-11/h3-5H,6-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyMYVQERAAZNMEOS-UHFFFAOYSA-N
XLogP1.05
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(2,6-dimethylanilino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate with MolForge

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Related Compounds

[2-(3-bromo-4-methylanilino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7203280
N-(2,6-dimethylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397568
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7203249
[2-oxo-2-(2-phenoxyanilino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7203184
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7211228
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 4797481
[2-oxo-2-(2-phenoxyethylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 8522233
[2-(furan-2-ylmethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 5029985
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7211445
[2-oxo-2-(pentan-2-ylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 4545690
[2-(2,6-dimethylanilino)-2-oxoethyl] acetate
CID 716418
[2-(2,6-dimethylanilino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2606025

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate (CID 7203173) is [2-(2,6-dimethylanilino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate.
What is the SMILES notation for [2-(2,6-dimethylanilino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The canonical SMILES for [2-(2,6-dimethylanilino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate is Cc1cccc(C)c1NC(=O)COC(=O)C1=NNC(=O)CC1.
What is the InChIKey of [2-(2,6-dimethylanilino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The InChIKey is MYVQERAAZNMEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-9-4-3-5-10(2)14(9)16-13(20)8-22-15(21)11-6-7-12(19)18-17-11/h3-5H,6-8H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of [2-(2,6-dimethylanilino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
[2-(2,6-dimethylanilino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate has a molecular weight of 303.32 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylanilino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate is sourced from PubChem (CID 7203173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).