[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate

C16H19N3O4 — CID 2397528

IUPAC[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate
SMILESCC(C)N(C(=O)COC(=O)C1=CCC(=O)NN1)c1ccccc1
InChIInChI=1S/C16H19N3O4/c1-11(2)19(12-6-4-3-5-7-12)15(21)10-23-16(22)13-8-9-14(20)18-17-13/h3-8,11,17H,9-10H2,1-2H3,(H,18,20)
InChIKeyOGTHLWNGOMQYOX-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.88
Rot. Bonds5

About [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate

[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate (PubChem CID 2397528) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate
PubChem CID2397528
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate
SMILESCC(C)N(C(=O)COC(=O)C1=CCC(=O)NN1)c1ccccc1
InChIInChI=1S/C16H19N3O4/c1-11(2)19(12-6-4-3-5-7-12)15(21)10-23-16(22)13-8-9-14(20)18-17-13/h3-8,11,17H,9-10H2,1-2H3,(H,18,20)
InChIKeyOGTHLWNGOMQYOX-UHFFFAOYSA-N
XLogP0.88
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate?
The IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate (CID 2397528) is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate.
What is the SMILES notation for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate?
The canonical SMILES for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate is CC(C)N(C(=O)COC(=O)C1=CCC(=O)NN1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate?
The InChIKey is OGTHLWNGOMQYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-11(2)19(12-6-4-3-5-7-12)15(21)10-23-16(22)13-8-9-14(20)18-17-13/h3-8,11,17H,9-10H2,1-2H3,(H,18,20).
What are the key properties of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate?
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate has a molecular weight of 317.35 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate is sourced from PubChem (CID 2397528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).