N-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide

C16H15Cl2N5O2 — CID 109116912

IUPACN-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide
SMILESO=CN1CCN(c2ccc(C(=O)Nc3cccc(Cl)c3Cl)nn2)CC1
InChIInChI=1S/C16H15Cl2N5O2/c17-11-2-1-3-12(15(11)18)19-16(25)13-4-5-14(21-20-13)23-8-6-22(10-24)7-9-23/h1-5,10H,6-9H2,(H,19,25)
InChIKeyDHCPBPBRDMORIH-UHFFFAOYSA-N
MW380.24 g/mol
LogP2.31
Rot. Bonds4

About N-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide

N-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide (PubChem CID 109116912) has the molecular formula C16H15Cl2N5O2 and a molecular weight of 380.24 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide
PubChem CID109116912
Molecular FormulaC16H15Cl2N5O2
Molecular Weight380.24 g/mol
Exact Mass379.06
IUPAC NameN-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide
SMILESO=CN1CCN(c2ccc(C(=O)Nc3cccc(Cl)c3Cl)nn2)CC1
InChIInChI=1S/C16H15Cl2N5O2/c17-11-2-1-3-12(15(11)18)19-16(25)13-4-5-14(21-20-13)23-8-6-22(10-24)7-9-23/h1-5,10H,6-9H2,(H,19,25)
InChIKeyDHCPBPBRDMORIH-UHFFFAOYSA-N
XLogP2.31
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 52.31
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-(4-acetylpiperazin-1-yl)-N-(2,3-dichlorophenyl)pyridazine-3-carboxamide
CID 109117200
N-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154974
N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111816
N-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116865
N-(2,3-dichlorophenyl)-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109126021
N-(2-chlorophenyl)-6-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109345639
N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111795
N-(2-aminophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
CID 119422691
N-(2,3-dichlorophenyl)-6-phenylpyridazine-3-carboxamide
CID 113200687
6-(4-formylpiperazin-1-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 109116779
N-[2-(4-chlorophenyl)ethyl]-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116807
N-(2,3-dichlorophenyl)-6-methylpyridazine-3-carboxamide
CID 110705384

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide (CID 109116912) is N-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide is O=CN1CCN(c2ccc(C(=O)Nc3cccc(Cl)c3Cl)nn2)CC1.
What is the InChIKey of N-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide?
The InChIKey is DHCPBPBRDMORIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5O2/c17-11-2-1-3-12(15(11)18)19-16(25)13-4-5-14(21-20-13)23-8-6-22(10-24)7-9-23/h1-5,10H,6-9H2,(H,19,25).
What are the key properties of N-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide?
N-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide has a molecular weight of 380.24 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 109116912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).