[4-(phenylcarbamoyl)phenyl]methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate

C19H17N3O4 — CID 7194920

IUPAC[4-(phenylcarbamoyl)phenyl]methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
SMILESO=C1CCC(C(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)=NN1
InChIInChI=1S/C19H17N3O4/c23-17-11-10-16(21-22-17)19(25)26-12-13-6-8-14(9-7-13)18(24)20-15-4-2-1-3-5-15/h1-9H,10-12H2,(H,20,24)(H,22,23)
InChIKeyUXOCDQBAGDKTMH-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.25
Rot. Bonds5

About [4-(phenylcarbamoyl)phenyl]methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate

[4-(phenylcarbamoyl)phenyl]methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate (PubChem CID 7194920) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is [4-(phenylcarbamoyl)phenyl]methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate.

Molecular Properties

Compound Name[4-(phenylcarbamoyl)phenyl]methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
PubChem CID7194920
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name[4-(phenylcarbamoyl)phenyl]methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
SMILESO=C1CCC(C(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)=NN1
InChIInChI=1S/C19H17N3O4/c23-17-11-10-16(21-22-17)19(25)26-12-13-6-8-14(9-7-13)18(24)20-15-4-2-1-3-5-15/h1-9H,10-12H2,(H,20,24)(H,22,23)
InChIKeyUXOCDQBAGDKTMH-UHFFFAOYSA-N
XLogP2.25
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(phenylcarbamoyl)phenyl]methyl 1H-pyrazole-5-carboxylate
CID 46428826
[4-(phenylcarbamoyl)phenyl]methyl 5-methylpyrazine-2-carboxylate
CID 8634406
[4-(phenylcarbamoyl)phenyl]methyl 2,6-dichlorobenzoate
CID 7723510
[4-(phenylcarbamoyl)phenyl]methyl 6-chloropyridine-3-carboxylate
CID 8017399
[4-(phenylcarbamoyl)phenyl]methyl 2-methylsulfonylbenzoate
CID 7724467
[4-(phenylcarbamoyl)phenyl]methyl 4-(diethylamino)benzoate
CID 7665240
propan-2-yl 4-[(4-benzamidobenzoyl)oxymethyl]benzoate
CID 2199290
[4-(phenylcarbamoyl)phenyl]methyl 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 33076527
[4-(phenylcarbamoyl)phenyl]methyl (E)-but-2-enoate
CID 7981070
[4-(phenylcarbamoyl)phenyl]methyl 2-methyl-2-phenylpropanoate
CID 7984589
[4-(phenylcarbamoyl)phenyl]methyl nitrate
CID 56659561
N-(3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397609

Frequently Asked Questions

What is the IUPAC name of [4-(phenylcarbamoyl)phenyl]methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The IUPAC name of [4-(phenylcarbamoyl)phenyl]methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate (CID 7194920) is [4-(phenylcarbamoyl)phenyl]methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate.
What is the SMILES notation for [4-(phenylcarbamoyl)phenyl]methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The canonical SMILES for [4-(phenylcarbamoyl)phenyl]methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate is O=C1CCC(C(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)=NN1.
What is the InChIKey of [4-(phenylcarbamoyl)phenyl]methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The InChIKey is UXOCDQBAGDKTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c23-17-11-10-16(21-22-17)19(25)26-12-13-6-8-14(9-7-13)18(24)20-15-4-2-1-3-5-15/h1-9H,10-12H2,(H,20,24)(H,22,23).
What are the key properties of [4-(phenylcarbamoyl)phenyl]methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
[4-(phenylcarbamoyl)phenyl]methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate has a molecular weight of 351.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(phenylcarbamoyl)phenyl]methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate is sourced from PubChem (CID 7194920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).