3-[[2-(4-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide

C25H28ClN5O4 — CID 46146882

IUPAC3-[[2-(4-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCCOc1cnn(-c2ccc(Cl)cc2)c(=O)c1Nc1cccc(C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C25H28ClN5O4/c1-2-35-22-17-28-31(21-8-6-19(26)7-9-21)25(33)23(22)29-20-5-3-4-18(16-20)24(32)27-10-11-30-12-14-34-15-13-30/h3-9,16-17,29H,2,10-15H2,1H3,(H,27,32)
InChIKeyJRDBRPCCHSWPFV-UHFFFAOYSA-N
MW497.98 g/mol
LogP3.09
Rot. Bonds9

About 3-[[2-(4-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide

3-[[2-(4-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 46146882) has the molecular formula C25H28ClN5O4 and a molecular weight of 497.98 g/mol. Its IUPAC name is 3-[[2-(4-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-[[2-(4-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID46146882
Molecular FormulaC25H28ClN5O4
Molecular Weight497.98 g/mol
Exact Mass497.18
IUPAC Name3-[[2-(4-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCCOc1cnn(-c2ccc(Cl)cc2)c(=O)c1Nc1cccc(C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C25H28ClN5O4/c1-2-35-22-17-28-31(21-8-6-19(26)7-9-21)25(33)23(22)29-20-5-3-4-18(16-20)24(32)27-10-11-30-12-14-34-15-13-30/h3-9,16-17,29H,2,10-15H2,1H3,(H,27,32)
InChIKeyJRDBRPCCHSWPFV-UHFFFAOYSA-N
XLogP3.09
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.98
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[[2-(4-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide with MolForge

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Related Compounds

3-[[5-(4-chlorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 83283817
4-[[2-(4-fluorophenyl)-5-(2-methylphenoxy)-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 46006577
N-butan-2-yl-3-[[2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-3-oxopyridazin-4-yl]amino]benzamide
CID 42833436
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
3-[[2-(4-chlorophenyl)-5-(3-methylphenoxy)-3-oxopyridazin-4-yl]amino]-N-[(4-fluorophenyl)methyl]benzamide
CID 42833444
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
3-(ethylsulfonylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 100786193
3-[5-(3-methylanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 117075307
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide
CID 44773550
3-[[5-(4-chlorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-methylpropyl)benzamide
CID 42830831
3-ethoxy-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 48581819
4-[3-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-chlorophenoxy)-2-(4-methoxyphenyl)pyridazin-3-one
CID 46147929

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3-[[2-(4-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide (CID 46146882) is 3-[[2-(4-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-[[2-(4-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-[[2-(4-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide is CCOc1cnn(-c2ccc(Cl)cc2)c(=O)c1Nc1cccc(C(=O)NCCN2CCOCC2)c1.
What is the InChIKey of 3-[[2-(4-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is JRDBRPCCHSWPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O4/c1-2-35-22-17-28-31(21-8-6-19(26)7-9-21)25(33)23(22)29-20-5-3-4-18(16-20)24(32)27-10-11-30-12-14-34-15-13-30/h3-9,16-17,29H,2,10-15H2,1H3,(H,27,32).
What are the key properties of 3-[[2-(4-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide?
3-[[2-(4-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 497.98 g/mol, XLogP of 3.09, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 46146882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).