N-[2-(4-chlorophenyl)ethyl]-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide

C18H20ClN5O2 — CID 109116807

IUPACN-[2-(4-chlorophenyl)ethyl]-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide
SMILESO=CN1CCN(c2ccc(C(=O)NCCc3ccc(Cl)cc3)nn2)CC1
InChIInChI=1S/C18H20ClN5O2/c19-15-3-1-14(2-4-15)7-8-20-18(26)16-5-6-17(22-21-16)24-11-9-23(13-25)10-12-24/h1-6,13H,7-12H2,(H,20,26)
InChIKeyOMTVBNVUHMKDIU-UHFFFAOYSA-N
MW373.84 g/mol
LogP1.38
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide (PubChem CID 109116807) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide
PubChem CID109116807
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide
SMILESO=CN1CCN(c2ccc(C(=O)NCCc3ccc(Cl)cc3)nn2)CC1
InChIInChI=1S/C18H20ClN5O2/c19-15-3-1-14(2-4-15)7-8-20-18(26)16-5-6-17(22-21-16)24-11-9-23(13-25)10-12-24/h1-6,13H,7-12H2,(H,20,26)
InChIKeyOMTVBNVUHMKDIU-UHFFFAOYSA-N
XLogP1.38
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-morpholin-4-yl-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109114472
6-(azepan-1-yl)-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 109126321
6-(4-ethylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109116492
6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109113164
N-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116865
6-(4-formylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109116789
N-[(4-chlorophenyl)methyl]-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278887
N-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116912
5-(4-formylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109187084
6-(4-acetylpiperazin-1-yl)-N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 109117114
5-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109285779
N-[(4-chlorophenyl)methyl]-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168916

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide (CID 109116807) is N-[2-(4-chlorophenyl)ethyl]-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide is O=CN1CCN(c2ccc(C(=O)NCCc3ccc(Cl)cc3)nn2)CC1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide?
The InChIKey is OMTVBNVUHMKDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c19-15-3-1-14(2-4-15)7-8-20-18(26)16-5-6-17(22-21-16)24-11-9-23(13-25)10-12-24/h1-6,13H,7-12H2,(H,20,26).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 109116807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).