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

C22H22BrN5O3 — CID 122355154

IUPAC2-bromo-5-methoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2ccc(Nc3cc(N4CCOCC4)cnn3)cc2)c1
InChIInChI=1S/C22H22BrN5O3/c1-30-18-6-7-20(23)19(13-18)22(29)26-16-4-2-15(3-5-16)25-21-12-17(14-24-27-21)28-8-10-31-11-9-28/h2-7,12-14H,8-11H2,1H3,(H,25,27)(H,26,29)
InChIKeyGTMDGAGODVEGQK-UHFFFAOYSA-N
MW484.35 g/mol
LogP4.08
Rot. Bonds6

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

2-bromo-5-methoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide (PubChem CID 122355154) has the molecular formula C22H22BrN5O3 and a molecular weight of 484.35 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
PubChem CID122355154
Molecular FormulaC22H22BrN5O3
Molecular Weight484.35 g/mol
Exact Mass483.09
IUPAC Name2-bromo-5-methoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2ccc(Nc3cc(N4CCOCC4)cnn3)cc2)c1
InChIInChI=1S/C22H22BrN5O3/c1-30-18-6-7-20(23)19(13-18)22(29)26-16-4-2-15(3-5-16)25-21-12-17(14-24-27-21)28-8-10-31-11-9-28/h2-7,12-14H,8-11H2,1H3,(H,25,27)(H,26,29)
InChIKeyGTMDGAGODVEGQK-UHFFFAOYSA-N
XLogP4.08
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.35
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354960
3,5-dimethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354917
2,5-dimethyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]furan-3-carboxamide
CID 122355081
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
4-ethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354914
1-(4-ethoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354979
4-iodo-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122355270
N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]pentanamide
CID 122354899
N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]butanamide
CID 122354898
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 2-bromo-5-methoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide (CID 122355154) is 2-bromo-5-methoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide is COc1ccc(Br)c(C(=O)Nc2ccc(Nc3cc(N4CCOCC4)cnn3)cc2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide?
The InChIKey is GTMDGAGODVEGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrN5O3/c1-30-18-6-7-20(23)19(13-18)22(29)26-16-4-2-15(3-5-16)25-21-12-17(14-24-27-21)28-8-10-31-11-9-28/h2-7,12-14H,8-11H2,1H3,(H,25,27)(H,26,29).
What are the key properties of 2-bromo-5-methoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide?
2-bromo-5-methoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide has a molecular weight of 484.35 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide is sourced from PubChem (CID 122355154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).