methyl 3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]piperidine-1-carboxylate

C17H18Cl2N4O3 — CID 133275627

IUPACmethyl 3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(Nc2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)C1
InChIInChI=1S/C17H18Cl2N4O3/c1-26-17(25)22-8-2-3-12(10-22)21-14-9-20-23(16(24)15(14)19)13-6-4-11(18)5-7-13/h4-7,9,12,21H,2-3,8,10H2,1H3
InChIKeyFNYORTBNSBQZRN-UHFFFAOYSA-N
MW397.26 g/mol
LogP3.18
Rot. Bonds3

About methyl 3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]piperidine-1-carboxylate

methyl 3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]piperidine-1-carboxylate (PubChem CID 133275627) has the molecular formula C17H18Cl2N4O3 and a molecular weight of 397.26 g/mol. Its IUPAC name is methyl 3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]piperidine-1-carboxylate
PubChem CID133275627
Molecular FormulaC17H18Cl2N4O3
Molecular Weight397.26 g/mol
Exact Mass396.08
IUPAC Namemethyl 3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(Nc2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)C1
InChIInChI=1S/C17H18Cl2N4O3/c1-26-17(25)22-8-2-3-12(10-22)21-14-9-20-23(16(24)15(14)19)13-6-4-11(18)5-7-13/h4-7,9,12,21H,2-3,8,10H2,1H3
InChIKeyFNYORTBNSBQZRN-UHFFFAOYSA-N
XLogP3.18
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one
CID 133342273
4-chloro-2-(3-chloro-4-methylphenyl)-5-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]pyridazin-3-one
CID 133404507
5-[2-(4-acetylpiperazin-1-yl)ethylamino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one
CID 60502796
4-chloro-5-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-2-(4-nitrophenyl)pyridazin-3-one
CID 133411898
4-chloro-2-methyl-5-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-one
CID 158190785
methyl 2-[5-chloro-4-(cyclobutylamino)-6-oxopyridazin-1-yl]acetate
CID 114437032
4-[3-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]piperidin-1-yl]-3-fluorobenzonitrile
CID 133296334
4-chloro-5-(cyclopentylamino)-2-methylpyridazin-3-one
CID 33286886
4-chloro-2-(4-chlorophenyl)-5-(2-cyclopropylethylamino)pyridazin-3-one
CID 133324274
2-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-N-(cyclopropylmethyl)acetamide
CID 133441864
4-chloro-2-(4-chlorophenyl)-5-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]pyridazin-3-one
CID 133355006
methyl 2-[5-chloro-4-[(1-methylpyrrolidin-3-yl)amino]-6-oxopyridazin-1-yl]acetate
CID 114435307

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]piperidine-1-carboxylate?
The IUPAC name of methyl 3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]piperidine-1-carboxylate (CID 133275627) is methyl 3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for methyl 3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]piperidine-1-carboxylate is COC(=O)N1CCCC(Nc2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)C1.
What is the InChIKey of methyl 3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]piperidine-1-carboxylate?
The InChIKey is FNYORTBNSBQZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O3/c1-26-17(25)22-8-2-3-12(10-22)21-14-9-20-23(16(24)15(14)19)13-6-4-11(18)5-7-13/h4-7,9,12,21H,2-3,8,10H2,1H3.
What are the key properties of methyl 3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]piperidine-1-carboxylate?
methyl 3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]piperidine-1-carboxylate has a molecular weight of 397.26 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 133275627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).