N-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propyl]-4-(piperidin-1-ylmethyl)aniline

C25H29ClN4 — CID 122184671

IUPACN-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propyl]-4-(piperidin-1-ylmethyl)aniline
SMILESClc1ccc(-c2ccc(CCCNc3ccc(CN4CCCCC4)cc3)nn2)cc1
InChIInChI=1S/C25H29ClN4/c26-22-10-8-21(9-11-22)25-15-14-24(28-29-25)5-4-16-27-23-12-6-20(7-13-23)19-30-17-2-1-3-18-30/h6-15,27H,1-5,16-19H2
InChIKeyODSPZLQLPQOLJR-UHFFFAOYSA-N
MW420.99 g/mol
LogP5.83
Rot. Bonds8

About N-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propyl]-4-(piperidin-1-ylmethyl)aniline

N-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propyl]-4-(piperidin-1-ylmethyl)aniline (PubChem CID 122184671) has the molecular formula C25H29ClN4 and a molecular weight of 420.99 g/mol. Its IUPAC name is N-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propyl]-4-(piperidin-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propyl]-4-(piperidin-1-ylmethyl)aniline
PubChem CID122184671
Molecular FormulaC25H29ClN4
Molecular Weight420.99 g/mol
Exact Mass420.21
IUPAC NameN-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propyl]-4-(piperidin-1-ylmethyl)aniline
SMILESClc1ccc(-c2ccc(CCCNc3ccc(CN4CCCCC4)cc3)nn2)cc1
InChIInChI=1S/C25H29ClN4/c26-22-10-8-21(9-11-22)25-15-14-24(28-29-25)5-4-16-27-23-12-6-20(7-13-23)19-30-17-2-1-3-18-30/h6-15,27H,1-5,16-19H2
InChIKeyODSPZLQLPQOLJR-UHFFFAOYSA-N
XLogP5.83
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.99
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[6-(4-fluorophenyl)pyridazin-3-yl]propyl]-4-(piperidin-1-ylmethyl)aniline
CID 122184672
4-[6-[3-[4-(Piperidin-1-ylmethyl)anilino]propyl]pyridazin-3-yl]benzonitrile
CID 122184673
3-[(4-chlorophenyl)methyl]-6,7,8,9-tetrahydro-5H-pyridazino[3,4-d]azepine
CID 155562772
4-(4-Chlorophenyl)-7-[6-(trifluoromethyl)pyridazin-3-yl]-1,2,3,4-tetrahydroquinoline
CID 68661085
[6-(4-Chloro-phenyl)-4-methyl-pyridazin-3-yl]-(2-piperidin-1-yl-ethyl)-amine; oxalic acid
CID 44376824
3-Pyridazinamine, 6-(4-chlorophenyl)-N-(2-(dimethylamino)ethyl)-4-phenyl-
CID 6410853
1,3-Propanediamine, N'-(6-(4-chlorophenyl)-4-phenyl-3-pyridazinyl)-N,N-dimethyl-
CID 6410855
6-(4-chlorophenyl)-5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)pyridazin-3-amine
CID 23187465
1-t-Butyl-5-(4-chlorophenyl)-3-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}aminomethylpyrazole
CID 16038857
1-[[4-[3-[6-(4-Chlorophenyl)pyridazin-3-yl]propylamino]-2-fluorophenyl]methyl]piperidin-4-ol
CID 16742900
3-Chloro-6-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyridazine
CID 88941876
4-[3-(4-Chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]aniline
CID 155808391

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propyl]-4-(piperidin-1-ylmethyl)aniline?
The IUPAC name of N-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propyl]-4-(piperidin-1-ylmethyl)aniline (CID 122184671) is N-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propyl]-4-(piperidin-1-ylmethyl)aniline.
What is the SMILES notation for N-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propyl]-4-(piperidin-1-ylmethyl)aniline?
The canonical SMILES for N-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propyl]-4-(piperidin-1-ylmethyl)aniline is Clc1ccc(-c2ccc(CCCNc3ccc(CN4CCCCC4)cc3)nn2)cc1.
What is the InChIKey of N-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propyl]-4-(piperidin-1-ylmethyl)aniline?
The InChIKey is ODSPZLQLPQOLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4/c26-22-10-8-21(9-11-22)25-15-14-24(28-29-25)5-4-16-27-23-12-6-20(7-13-23)19-30-17-2-1-3-18-30/h6-15,27H,1-5,16-19H2.
What are the key properties of N-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propyl]-4-(piperidin-1-ylmethyl)aniline?
N-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propyl]-4-(piperidin-1-ylmethyl)aniline has a molecular weight of 420.99 g/mol, XLogP of 5.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propyl]-4-(piperidin-1-ylmethyl)aniline is sourced from PubChem (CID 122184671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).