1-(2,3-dimethylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea

C23H26N6O2 — CID 122354978

IUPAC1-(2,3-dimethylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
SMILESCc1cccc(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)cnn3)cc2)c1C
InChIInChI=1S/C23H26N6O2/c1-16-4-3-5-21(17(16)2)27-23(30)26-19-8-6-18(7-9-19)25-22-14-20(15-24-28-22)29-10-12-31-13-11-29/h3-9,14-15H,10-13H2,1-2H3,(H,25,28)(H2,26,27,30)
InChIKeyXQGBWQKBAYXTCV-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.32
Rot. Bonds5

About 1-(2,3-dimethylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea

1-(2,3-dimethylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea (PubChem CID 122354978) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
PubChem CID122354978
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name1-(2,3-dimethylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
SMILESCc1cccc(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)cnn3)cc2)c1C
InChIInChI=1S/C23H26N6O2/c1-16-4-3-5-21(17(16)2)27-23(30)26-19-8-6-18(7-9-19)25-22-14-20(15-24-28-22)29-10-12-31-13-11-29/h3-9,14-15H,10-13H2,1-2H3,(H,25,28)(H2,26,27,30)
InChIKeyXQGBWQKBAYXTCV-UHFFFAOYSA-N
XLogP4.32
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(2,3-dimethylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea with MolForge

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354963
1-(4-methoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354960
1-(4-ethoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354979
2,4-dimethyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354908
N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]butanamide
CID 122354898
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354983
2,5-dimethyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]furan-3-carboxamide
CID 122355081
N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]pentanamide
CID 122354899
1-(2-methylphenyl)-3-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]urea
CID 122321473
4-iodo-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122355270
1-(2,3-dimethylphenyl)-3-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]urea
CID 122321078
3,5-dimethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354917

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea (CID 122354978) is 1-(2,3-dimethylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea is Cc1cccc(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)cnn3)cc2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea?
The InChIKey is XQGBWQKBAYXTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-16-4-3-5-21(17(16)2)27-23(30)26-19-8-6-18(7-9-19)25-22-14-20(15-24-28-22)29-10-12-31-13-11-29/h3-9,14-15H,10-13H2,1-2H3,(H,25,28)(H2,26,27,30).
What are the key properties of 1-(2,3-dimethylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea?
1-(2,3-dimethylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea has a molecular weight of 418.50 g/mol, XLogP of 4.32, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea is sourced from PubChem (CID 122354978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).