ethyl 2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]acetate

C22H21N3O4 — CID 108803402

IUPACethyl 2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn(C)c1=O
InChIInChI=1S/C22H21N3O4/c1-3-29-17(26)14-23-21(27)19-18(15-10-6-4-7-11-15)20(24-25(2)22(19)28)16-12-8-5-9-13-16/h4-13H,3,14H2,1-2H3,(H,23,27)
InChIKeyKKYSZQPFFDKZND-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.41
Rot. Bonds6

About ethyl 2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]acetate

ethyl 2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]acetate (PubChem CID 108803402) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is ethyl 2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]acetate
PubChem CID108803402
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Nameethyl 2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn(C)c1=O
InChIInChI=1S/C22H21N3O4/c1-3-29-17(26)14-23-21(27)19-18(15-10-6-4-7-11-15)20(24-25(2)22(19)28)16-12-8-5-9-13-16/h4-13H,3,14H2,1-2H3,(H,23,27)
InChIKeyKKYSZQPFFDKZND-UHFFFAOYSA-N
XLogP2.41
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-oxo-5,6-diphenyl-N-propylpyridazine-4-carboxamide
CID 108790559
2-methyl-3-oxo-5,6-diphenyl-N-(3-propan-2-yloxypropyl)pyridazine-4-carboxamide
CID 108790644
ethyl 2-[[1,3-diphenyl-5-[(E)-2-phenylethenyl]pyrazole-4-carbonyl]amino]acetate
CID 175238109
N-(4-acetamidophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790558
2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803371
N-(2,6-difluorophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790637
ethyl 2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]acetate
CID 4525423
2-methyl-N-(5-methyl-2-pyridinyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803387
N-cyclododecyl-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790626
3-hydroxy-2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]butanoic acid
CID 108790658
N-(4-hydroxy-2-methylphenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790593
methyl 4-methyl-2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 16876725

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]acetate (CID 108803402) is ethyl 2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]acetate is CCOC(=O)CNC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn(C)c1=O.
What is the InChIKey of ethyl 2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]acetate?
The InChIKey is KKYSZQPFFDKZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-3-29-17(26)14-23-21(27)19-18(15-10-6-4-7-11-15)20(24-25(2)22(19)28)16-12-8-5-9-13-16/h4-13H,3,14H2,1-2H3,(H,23,27).
What are the key properties of ethyl 2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]acetate?
ethyl 2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]acetate has a molecular weight of 391.43 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]acetate is sourced from PubChem (CID 108803402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).