[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate

C24H22N4O5 — CID 27935882

IUPAC[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate
SMILESCc1cc(=O)c(C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)nn1-c1ccccc1
InChIInChI=1S/C24H22N4O5/c1-15-13-20(29)22(27-28(15)17-7-3-2-4-8-17)24(32)33-14-21(30)26-19-10-6-5-9-18(19)23(31)25-16-11-12-16/h2-10,13,16H,11-12,14H2,1H3,(H,25,31)(H,26,30)
InChIKeySGSIRDSSOSUHCY-UHFFFAOYSA-N
MW446.46 g/mol
LogP2.23
Rot. Bonds7

About [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate

[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate (PubChem CID 27935882) has the molecular formula C24H22N4O5 and a molecular weight of 446.46 g/mol. Its IUPAC name is [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate.

Molecular Properties

Compound Name[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate
PubChem CID27935882
Molecular FormulaC24H22N4O5
Molecular Weight446.46 g/mol
Exact Mass446.16
IUPAC Name[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate
SMILESCc1cc(=O)c(C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)nn1-c1ccccc1
InChIInChI=1S/C24H22N4O5/c1-15-13-20(29)22(27-28(15)17-7-3-2-4-8-17)24(32)33-14-21(30)26-19-10-6-5-9-18(19)23(31)25-16-11-12-16/h2-10,13,16H,11-12,14H2,1H3,(H,25,31)(H,26,30)
InChIKeySGSIRDSSOSUHCY-UHFFFAOYSA-N
XLogP2.23
TPSA119.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2-anilino-2-oxoethyl) 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate
CID 33124998
[2-oxo-2-(4-phenylanilino)ethyl] 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate
CID 33125444
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 8535606
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate
CID 8913060
N-cyclohexyl-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 51237420
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate
CID 33126295
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8878545
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7587081
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate
CID 33125830
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-methylsulfonylbenzoate
CID 7725538
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 16519219
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate
CID 27926933

Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate?
The IUPAC name of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate (CID 27935882) is [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate.
What is the SMILES notation for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate?
The canonical SMILES for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate is Cc1cc(=O)c(C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)nn1-c1ccccc1.
What is the InChIKey of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate?
The InChIKey is SGSIRDSSOSUHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O5/c1-15-13-20(29)22(27-28(15)17-7-3-2-4-8-17)24(32)33-14-21(30)26-19-10-6-5-9-18(19)23(31)25-16-11-12-16/h2-10,13,16H,11-12,14H2,1H3,(H,25,31)(H,26,30).
What are the key properties of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate?
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate has a molecular weight of 446.46 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate is sourced from PubChem (CID 27935882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).