6-(2-chlorophenyl)-5-(4-chlorophenyl)-N-[(E)-(3-methoxy-1-propylcyclopentyl)methylideneamino]pyridazin-3-amine

C26H28Cl2N4O — CID 143379998

IUPAC6-(2-chlorophenyl)-5-(4-chlorophenyl)-N-[(E)-(3-methoxy-1-propylcyclopentyl)methylideneamino]pyridazin-3-amine
SMILESCCCC1(/C=N/Nc2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nn2)CCC(OC)C1
InChIInChI=1S/C26H28Cl2N4O/c1-3-13-26(14-12-20(16-26)33-2)17-29-30-24-15-22(18-8-10-19(27)11-9-18)25(32-31-24)21-6-4-5-7-23(21)28/h4-11,15,17,20H,3,12-14,16H2,1-2H3,(H,30,31)/b29-17+
InChIKeyCEVYTQGRVPDDFG-STBIYBPSSA-N
MW483.44 g/mol
LogP7.50
Rot. Bonds8

About 6-(2-chlorophenyl)-5-(4-chlorophenyl)-N-[(E)-(3-methoxy-1-propylcyclopentyl)methylideneamino]pyridazin-3-amine

6-(2-chlorophenyl)-5-(4-chlorophenyl)-N-[(E)-(3-methoxy-1-propylcyclopentyl)methylideneamino]pyridazin-3-amine (PubChem CID 143379998) has the molecular formula C26H28Cl2N4O and a molecular weight of 483.44 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-5-(4-chlorophenyl)-N-[(E)-(3-methoxy-1-propylcyclopentyl)methylideneamino]pyridazin-3-amine.

Molecular Properties

Compound Name6-(2-chlorophenyl)-5-(4-chlorophenyl)-N-[(E)-(3-methoxy-1-propylcyclopentyl)methylideneamino]pyridazin-3-amine
PubChem CID143379998
Molecular FormulaC26H28Cl2N4O
Molecular Weight483.44 g/mol
Exact Mass482.16
IUPAC Name6-(2-chlorophenyl)-5-(4-chlorophenyl)-N-[(E)-(3-methoxy-1-propylcyclopentyl)methylideneamino]pyridazin-3-amine
SMILESCCCC1(/C=N/Nc2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nn2)CCC(OC)C1
InChIInChI=1S/C26H28Cl2N4O/c1-3-13-26(14-12-20(16-26)33-2)17-29-30-24-15-22(18-8-10-19(27)11-9-18)25(32-31-24)21-6-4-5-7-23(21)28/h4-11,15,17,20H,3,12-14,16H2,1-2H3,(H,30,31)/b29-17+
InChIKeyCEVYTQGRVPDDFG-STBIYBPSSA-N
XLogP7.50
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.44
LogP ≤ 57.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

acetylene;6-(2-chlorophenyl)-5-(4-chlorophenyl)-N-[(E)-ethylideneamino]pyridazin-3-amine;ethane;N-methylethanimine;2-methylprop-1-en-1-ol
CID 143380016
3,6-bis(2-chlorophenyl)-4-phenylpyridazine
CID 18874698
methyl 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-4-carboxylate
CID 67019992
6-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]-5-phenylpyridazin-3-amine
CID 139227329
4-(4-chlorophenyl)-N-[(E)-ethylideneamino]-5-(2-fluorophenyl)pyridin-2-amine
CID 143379985
N-[2-[[6-(2-chlorophenyl)-5-(4-chlorophenyl)-3-cyano-2-pyridinyl]oxy]ethyl]cyclopropanecarboxamide
CID 58961579
3,6-bis(2-chlorophenyl)-4-naphthalen-2-ylpyridazine
CID 18874711
1-chloro-2-(4-chlorophenyl)benzene;dichloromethane
CID 175257983
6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine;ethane
CID 143380032
6-(2-chlorophenyl)-7-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3-carbaldehyde;N,N-dimethylpropan-1-amine;ethane;pentane
CID 143380067
7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-ethyl-2-methyl-3H-pyrano[2,3-b]pyridin-4-one
CID 24996237
7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-methyl-2-phenylmethoxy-3H-pyrano[2,3-b]pyridin-4-one
CID 67330514

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-5-(4-chlorophenyl)-N-[(E)-(3-methoxy-1-propylcyclopentyl)methylideneamino]pyridazin-3-amine?
The IUPAC name of 6-(2-chlorophenyl)-5-(4-chlorophenyl)-N-[(E)-(3-methoxy-1-propylcyclopentyl)methylideneamino]pyridazin-3-amine (CID 143379998) is 6-(2-chlorophenyl)-5-(4-chlorophenyl)-N-[(E)-(3-methoxy-1-propylcyclopentyl)methylideneamino]pyridazin-3-amine.
What is the SMILES notation for 6-(2-chlorophenyl)-5-(4-chlorophenyl)-N-[(E)-(3-methoxy-1-propylcyclopentyl)methylideneamino]pyridazin-3-amine?
The canonical SMILES for 6-(2-chlorophenyl)-5-(4-chlorophenyl)-N-[(E)-(3-methoxy-1-propylcyclopentyl)methylideneamino]pyridazin-3-amine is CCCC1(/C=N/Nc2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nn2)CCC(OC)C1.
What is the InChIKey of 6-(2-chlorophenyl)-5-(4-chlorophenyl)-N-[(E)-(3-methoxy-1-propylcyclopentyl)methylideneamino]pyridazin-3-amine?
The InChIKey is CEVYTQGRVPDDFG-STBIYBPSSA-N. The full InChI is InChI=1S/C26H28Cl2N4O/c1-3-13-26(14-12-20(16-26)33-2)17-29-30-24-15-22(18-8-10-19(27)11-9-18)25(32-31-24)21-6-4-5-7-23(21)28/h4-11,15,17,20H,3,12-14,16H2,1-2H3,(H,30,31)/b29-17+.
What are the key properties of 6-(2-chlorophenyl)-5-(4-chlorophenyl)-N-[(E)-(3-methoxy-1-propylcyclopentyl)methylideneamino]pyridazin-3-amine?
6-(2-chlorophenyl)-5-(4-chlorophenyl)-N-[(E)-(3-methoxy-1-propylcyclopentyl)methylideneamino]pyridazin-3-amine has a molecular weight of 483.44 g/mol, XLogP of 7.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-5-(4-chlorophenyl)-N-[(E)-(3-methoxy-1-propylcyclopentyl)methylideneamino]pyridazin-3-amine is sourced from PubChem (CID 143379998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).