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

C16H17N3O4 — CID 167981415

IUPAC[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
SMILESO=C1CCC(C(=O)OC(C(=O)NC2CC2)c2ccccc2)=NN1
InChIInChI=1S/C16H17N3O4/c20-13-9-8-12(18-19-13)16(22)23-14(10-4-2-1-3-5-10)15(21)17-11-6-7-11/h1-5,11,14H,6-9H2,(H,17,21)(H,19,20)
InChIKeyJBTWWORWFZIFPN-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.82
Rot. Bonds5

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

[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate (PubChem CID 167981415) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
PubChem CID167981415
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
SMILESO=C1CCC(C(=O)OC(C(=O)NC2CC2)c2ccccc2)=NN1
InChIInChI=1S/C16H17N3O4/c20-13-9-8-12(18-19-13)16(22)23-14(10-4-2-1-3-5-10)15(21)17-11-6-7-11/h1-5,11,14H,6-9H2,(H,17,21)(H,19,20)
InChIKeyJBTWWORWFZIFPN-UHFFFAOYSA-N
XLogP0.82
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7195012
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-hydroxy-2-phenylacetate
CID 9414934
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylbenzoate
CID 18198888
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-methoxybenzoate
CID 9414572
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate
CID 18149699
(2S)-N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 958449
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-ethylsulfanylbenzoate
CID 8722117
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(trifluoromethyl)benzoate
CID 9415143
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate
CID 46824904
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] quinoxaline-6-carboxylate
CID 47009412
[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7194863
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(S)-methylsulfinyl]benzoate
CID 11927503

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The IUPAC name of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate (CID 167981415) is [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate is O=C1CCC(C(=O)OC(C(=O)NC2CC2)c2ccccc2)=NN1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The InChIKey is JBTWWORWFZIFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c20-13-9-8-12(18-19-13)16(22)23-14(10-4-2-1-3-5-10)15(21)17-11-6-7-11/h1-5,11,14H,6-9H2,(H,17,21)(H,19,20).
What are the key properties of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate has a molecular weight of 315.33 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate is sourced from PubChem (CID 167981415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).