2,4-dimethyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide

C23H25N5O2 — CID 122354908

IUPAC2,4-dimethyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCOCC4)cnn3)cc2)c(C)c1
InChIInChI=1S/C23H25N5O2/c1-16-3-8-21(17(2)13-16)23(29)26-19-6-4-18(5-7-19)25-22-14-20(15-24-27-22)28-9-11-30-12-10-28/h3-8,13-15H,9-12H2,1-2H3,(H,25,27)(H,26,29)
InChIKeyYXLHLCIPRJGGJC-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.93
Rot. Bonds5

About 2,4-dimethyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide

2,4-dimethyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide (PubChem CID 122354908) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 2,4-dimethyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
PubChem CID122354908
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name2,4-dimethyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCOCC4)cnn3)cc2)c(C)c1
InChIInChI=1S/C23H25N5O2/c1-16-3-8-21(17(2)13-16)23(29)26-19-6-4-18(5-7-19)25-22-14-20(15-24-27-22)28-9-11-30-12-10-28/h3-8,13-15H,9-12H2,1-2H3,(H,25,27)(H,26,29)
InChIKeyYXLHLCIPRJGGJC-UHFFFAOYSA-N
XLogP3.93
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]furan-3-carboxamide
CID 122355081
4-iodo-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122355270
1-(3-chloro-4-methylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354963
2-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354511
2-bromo-5-methoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122355154
3,5-dimethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354917
4-ethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354914
N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]butanamide
CID 122354898
1-(2,3-dimethylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354978
1-(4-methoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354960
N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]pentanamide
CID 122354899
4-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 122354948

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide (CID 122354908) is 2,4-dimethyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCOCC4)cnn3)cc2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide?
The InChIKey is YXLHLCIPRJGGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-16-3-8-21(17(2)13-16)23(29)26-19-6-4-18(5-7-19)25-22-14-20(15-24-27-22)28-9-11-30-12-10-28/h3-8,13-15H,9-12H2,1-2H3,(H,25,27)(H,26,29).
What are the key properties of 2,4-dimethyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide?
2,4-dimethyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide has a molecular weight of 403.49 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide is sourced from PubChem (CID 122354908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).