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

C24H26ClN5O4 — CID 83283817

IUPAC3-[[5-(4-chlorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCn1ncc(Oc2ccc(Cl)cc2)c(Nc2cccc(C(=O)NCCN3CCOCC3)c2)c1=O
InChIInChI=1S/C24H26ClN5O4/c1-29-24(32)22(21(16-27-29)34-20-7-5-18(25)6-8-20)28-19-4-2-3-17(15-19)23(31)26-9-10-30-11-13-33-14-12-30/h2-8,15-16,28H,9-14H2,1H3,(H,26,31)
InChIKeyFNFNOQQHGOXJMP-UHFFFAOYSA-N
MW483.96 g/mol
LogP3.03
Rot. Bonds8

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

3-[[5-(4-chlorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 83283817) has the molecular formula C24H26ClN5O4 and a molecular weight of 483.96 g/mol. Its IUPAC name is 3-[[5-(4-chlorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-[[5-(4-chlorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID83283817
Molecular FormulaC24H26ClN5O4
Molecular Weight483.96 g/mol
Exact Mass483.17
IUPAC Name3-[[5-(4-chlorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCn1ncc(Oc2ccc(Cl)cc2)c(Nc2cccc(C(=O)NCCN3CCOCC3)c2)c1=O
InChIInChI=1S/C24H26ClN5O4/c1-29-24(32)22(21(16-27-29)34-20-7-5-18(25)6-8-20)28-19-4-2-3-17(15-19)23(31)26-9-10-30-11-13-33-14-12-30/h2-8,15-16,28H,9-14H2,1H3,(H,26,31)
InChIKeyFNFNOQQHGOXJMP-UHFFFAOYSA-N
XLogP3.03
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.96
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[[5-(4-chlorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-methylpropyl)benzamide
CID 42830831
3-[[2-(4-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 46146882
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
4-[[5-(3-chlorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(3-methylbutyl)benzamide
CID 46001056
N-butan-2-yl-3-[[2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-3-oxopyridazin-4-yl]amino]benzamide
CID 42833436
3-N-(3-acetylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109053343
3-(2-methylpropanoylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 4051447
3-(ethylsulfonylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 100786193
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
4-[3-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-chlorophenoxy)-2-(4-methoxyphenyl)pyridazin-3-one
CID 46147929
3-[[5-(2-methoxy-4-methylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 46114849
4-[2-[3-(2-morpholin-4-ylethylcarbamoyl)anilino]-1,3-oxazol-5-yl]benzoic acid
CID 166108164

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-chlorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3-[[5-(4-chlorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide (CID 83283817) is 3-[[5-(4-chlorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-[[5-(4-chlorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-[[5-(4-chlorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide is Cn1ncc(Oc2ccc(Cl)cc2)c(Nc2cccc(C(=O)NCCN3CCOCC3)c2)c1=O.
What is the InChIKey of 3-[[5-(4-chlorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is FNFNOQQHGOXJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O4/c1-29-24(32)22(21(16-27-29)34-20-7-5-18(25)6-8-20)28-19-4-2-3-17(15-19)23(31)26-9-10-30-11-13-33-14-12-30/h2-8,15-16,28H,9-14H2,1H3,(H,26,31).
What are the key properties of 3-[[5-(4-chlorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide?
3-[[5-(4-chlorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 483.96 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-chlorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 83283817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).