1-[[2-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)acetyl]amino]-3-phenylurea

C26H20N6O3 — CID 990303

IUPAC1-[[2-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)acetyl]amino]-3-phenylurea
SMILESN#Cc1c(-c2ccccc2)c(-c2ccccc2)nn(CC(=O)NNC(=O)Nc2ccccc2)c1=O
InChIInChI=1S/C26H20N6O3/c27-16-21-23(18-10-4-1-5-11-18)24(19-12-6-2-7-13-19)31-32(25(21)34)17-22(33)29-30-26(35)28-20-14-8-3-9-15-20/h1-15H,17H2,(H,29,33)(H2,28,30,35)
InChIKeyDWBZKMVFRYXANL-UHFFFAOYSA-N
MW464.49 g/mol
LogP3.30
Rot. Bonds5

About 1-[[2-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)acetyl]amino]-3-phenylurea

1-[[2-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)acetyl]amino]-3-phenylurea (PubChem CID 990303) has the molecular formula C26H20N6O3 and a molecular weight of 464.49 g/mol. Its IUPAC name is 1-[[2-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)acetyl]amino]-3-phenylurea.

Molecular Properties

Compound Name1-[[2-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)acetyl]amino]-3-phenylurea
PubChem CID990303
Molecular FormulaC26H20N6O3
Molecular Weight464.49 g/mol
Exact Mass464.16
IUPAC Name1-[[2-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)acetyl]amino]-3-phenylurea
SMILESN#Cc1c(-c2ccccc2)c(-c2ccccc2)nn(CC(=O)NNC(=O)Nc2ccccc2)c1=O
InChIInChI=1S/C26H20N6O3/c27-16-21-23(18-10-4-1-5-11-18)24(19-12-6-2-7-13-19)31-32(25(21)34)17-22(33)29-30-26(35)28-20-14-8-3-9-15-20/h1-15H,17H2,(H,29,33)(H2,28,30,35)
InChIKeyDWBZKMVFRYXANL-UHFFFAOYSA-N
XLogP3.30
TPSA128.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(5-cyano-6-oxo-3,4-diphenyl-1(6H)-pyridazinyl)acetyl]-N-(4-methylphenyl)hydrazinecarboxamide
CID 990304
1-[[2-(5-Cyano-6-oxo-3,4-diphenylpyridazin-1-yl)acetyl]amino]-3-(3,4-dichlorophenyl)urea
CID 990305
1-[[2-(4-Benzyl-1-oxophthalazin-2-yl)acetyl]amino]-3-phenylthiourea
CID 155529064
N-(3-cyanophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 16014579
N-(4-chlorophenyl)-2-{2-[5-cyano-6-oxo-3,4-diphenyl-1(6H)-pyridazinyl]acetyl}-1-hydrazinecarboxamide
CID 2815131
N-(3-Cyanophenyl)-2-(6-oxo-3-phenyl-1,6-dihydropyridazin-1-YL)butanamide
CID 16014506
N-(3-cyanophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2(1H)-yl)propanamide
CID 16014518
N-(2-cyanophenyl)-2-ethyl-3-oxo-5,6-diphenyl-2,3-dihydropyridazine-4-carboxamide
CID 16014591
2-cyano-N'-(3-phenyl-1,2-dihydroquinoxalin-2-yl)acetohydrazide
CID 486233
N-(2-cyanophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide
CID 177373840
N-(4-fluorophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide
CID 177373844
N-(3-cyanophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide
CID 177373851

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)acetyl]amino]-3-phenylurea?
The IUPAC name of 1-[[2-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)acetyl]amino]-3-phenylurea (CID 990303) is 1-[[2-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)acetyl]amino]-3-phenylurea.
What is the SMILES notation for 1-[[2-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)acetyl]amino]-3-phenylurea?
The canonical SMILES for 1-[[2-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)acetyl]amino]-3-phenylurea is N#Cc1c(-c2ccccc2)c(-c2ccccc2)nn(CC(=O)NNC(=O)Nc2ccccc2)c1=O.
What is the InChIKey of 1-[[2-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)acetyl]amino]-3-phenylurea?
The InChIKey is DWBZKMVFRYXANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O3/c27-16-21-23(18-10-4-1-5-11-18)24(19-12-6-2-7-13-19)31-32(25(21)34)17-22(33)29-30-26(35)28-20-14-8-3-9-15-20/h1-15H,17H2,(H,29,33)(H2,28,30,35).
What are the key properties of 1-[[2-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)acetyl]amino]-3-phenylurea?
1-[[2-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)acetyl]amino]-3-phenylurea has a molecular weight of 464.49 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)acetyl]amino]-3-phenylurea is sourced from PubChem (CID 990303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).