1-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]-3-(3-methylphenyl)urea

C20H22N4O2 — CID 59993026

IUPAC1-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2cccc(C3=NNC(=O)CC3(C)C)c2)c1
InChIInChI=1S/C20H22N4O2/c1-13-6-4-8-15(10-13)21-19(26)22-16-9-5-7-14(11-16)18-20(2,3)12-17(25)23-24-18/h4-11H,12H2,1-3H3,(H,23,25)(H2,21,22,26)
InChIKeyAKNYFKBFPHWOMN-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.89
Rot. Bonds3

About 1-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]-3-(3-methylphenyl)urea

1-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]-3-(3-methylphenyl)urea (PubChem CID 59993026) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]-3-(3-methylphenyl)urea
PubChem CID59993026
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2cccc(C3=NNC(=O)CC3(C)C)c2)c1
InChIInChI=1S/C20H22N4O2/c1-13-6-4-8-15(10-13)21-19(26)22-16-9-5-7-14(11-16)18-20(2,3)12-17(25)23-24-18/h4-11H,12H2,1-3H3,(H,23,25)(H2,21,22,26)
InChIKeyAKNYFKBFPHWOMN-UHFFFAOYSA-N
XLogP3.89
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]-3-(3-methylphenyl)urea with MolForge

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Related Compounds

1-(3,4-dihydroxyphenyl)-3-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea
CID 142201001
1-(3,5-difluorophenyl)-3-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea
CID 59993013
1-(2,6-dichlorophenyl)-3-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]urea
CID 59993014
1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
CID 1239967
N-(3-methylphenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide
CID 110467708
1-(3-methylphenyl)-3-[3-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea
CID 11360304
1-(3-chloro-4-fluorophenyl)-3-[3-(4,4-dimethyl-5-oxo-1H-pyrazol-3-yl)phenyl]urea
CID 511442
N-(3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397609
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
1-(3-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 46387996
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774
1-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-3-(3-methylphenyl)urea
CID 30377083

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]-3-(3-methylphenyl)urea (CID 59993026) is 1-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2cccc(C3=NNC(=O)CC3(C)C)c2)c1.
What is the InChIKey of 1-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]-3-(3-methylphenyl)urea?
The InChIKey is AKNYFKBFPHWOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-6-4-8-15(10-13)21-19(26)22-16-9-5-7-14(11-16)18-20(2,3)12-17(25)23-24-18/h4-11H,12H2,1-3H3,(H,23,25)(H2,21,22,26).
What are the key properties of 1-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]-3-(3-methylphenyl)urea?
1-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]-3-(3-methylphenyl)urea has a molecular weight of 350.42 g/mol, XLogP of 3.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 59993026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).