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

C16H19N3O4 — CID 7203218

IUPAC[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
SMILESCc1ccc(CN(C)C(=O)COC(=O)C2=NNC(=O)CC2)cc1
InChIInChI=1S/C16H19N3O4/c1-11-3-5-12(6-4-11)9-19(2)15(21)10-23-16(22)13-7-8-14(20)18-17-13/h3-6H,7-10H2,1-2H3,(H,18,20)
InChIKeyCUVYQDQYIMBMFA-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.76
Rot. Bonds5

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

[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate (PubChem CID 7203218) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate.

Molecular Properties

Compound Name[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
PubChem CID7203218
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
SMILESCc1ccc(CN(C)C(=O)COC(=O)C2=NNC(=O)CC2)cc1
InChIInChI=1S/C16H19N3O4/c1-11-3-5-12(6-4-11)9-19(2)15(21)10-23-16(22)13-7-8-14(20)18-17-13/h3-6H,7-10H2,1-2H3,(H,18,20)
InChIKeyCUVYQDQYIMBMFA-UHFFFAOYSA-N
XLogP0.76
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate
CID 7848699
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837530
[2-(ethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 3613674
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 2-(methylamino)benzoate
CID 7953704
[2-(3,4-dimethylanilino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7203166
2-(2-aminoethoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 79463095
ethyl 2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate
CID 55003937
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 7764973
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] adamantane-1-carboxylate
CID 7867134
[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
CID 24519008
[2-[benzyl(methyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8544093
[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 8807876

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The IUPAC name of [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate (CID 7203218) is [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate.
What is the SMILES notation for [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The canonical SMILES for [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate is Cc1ccc(CN(C)C(=O)COC(=O)C2=NNC(=O)CC2)cc1.
What is the InChIKey of [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The InChIKey is CUVYQDQYIMBMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-11-3-5-12(6-4-11)9-19(2)15(21)10-23-16(22)13-7-8-14(20)18-17-13/h3-6H,7-10H2,1-2H3,(H,18,20).
What are the key properties of [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate has a molecular weight of 317.35 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate is sourced from PubChem (CID 7203218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).