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

C23H25N5O4 — CID 122354917

IUPAC3,5-dimethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(Nc3cc(N4CCOCC4)cnn3)cc2)c1
InChIInChI=1S/C23H25N5O4/c1-30-20-11-16(12-21(14-20)31-2)23(29)26-18-5-3-17(4-6-18)25-22-13-19(15-24-27-22)28-7-9-32-10-8-28/h3-6,11-15H,7-10H2,1-2H3,(H,25,27)(H,26,29)
InChIKeyRWVAEODWMCEOEQ-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.33
Rot. Bonds7

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

3,5-dimethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide (PubChem CID 122354917) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
PubChem CID122354917
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name3,5-dimethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(Nc3cc(N4CCOCC4)cnn3)cc2)c1
InChIInChI=1S/C23H25N5O4/c1-30-20-11-16(12-21(14-20)31-2)23(29)26-18-5-3-17(4-6-18)25-22-13-19(15-24-27-22)28-7-9-32-10-8-28/h3-6,11-15H,7-10H2,1-2H3,(H,25,27)(H,26,29)
InChIKeyRWVAEODWMCEOEQ-UHFFFAOYSA-N
XLogP3.33
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-methoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354960
2-bromo-5-methoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122355154
4-ethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354914
4-iodo-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122355270
3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide
CID 122355098
2,4-dimethyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354908
1-(4-ethoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354979
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]butanamide
CID 122354898
N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]pentanamide
CID 122354899
1-(3-chloro-4-methylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354963
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 3,5-dimethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide (CID 122354917) is 3,5-dimethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide is COc1cc(OC)cc(C(=O)Nc2ccc(Nc3cc(N4CCOCC4)cnn3)cc2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide?
The InChIKey is RWVAEODWMCEOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-30-20-11-16(12-21(14-20)31-2)23(29)26-18-5-3-17(4-6-18)25-22-13-19(15-24-27-22)28-7-9-32-10-8-28/h3-6,11-15H,7-10H2,1-2H3,(H,25,27)(H,26,29).
What are the key properties of 3,5-dimethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide?
3,5-dimethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide has a molecular weight of 435.48 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide is sourced from PubChem (CID 122354917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).