6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridazine-3-carboxamide

C20H27N5O — CID 109109265

IUPAC6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridazine-3-carboxamide
SMILESCCCNC(=O)c1ccc(N2CCN(c3cccc(C)c3C)CC2)nn1
InChIInChI=1S/C20H27N5O/c1-4-10-21-20(26)17-8-9-19(23-22-17)25-13-11-24(12-14-25)18-7-5-6-15(2)16(18)3/h5-9H,4,10-14H2,1-3H3,(H,21,26)
InChIKeyOTXSOGDDRUZNSG-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.56
Rot. Bonds5

About 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridazine-3-carboxamide

6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridazine-3-carboxamide (PubChem CID 109109265) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridazine-3-carboxamide
PubChem CID109109265
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridazine-3-carboxamide
SMILESCCCNC(=O)c1ccc(N2CCN(c3cccc(C)c3C)CC2)nn1
InChIInChI=1S/C20H27N5O/c1-4-10-21-20(26)17-8-9-19(23-22-17)25-13-11-24(12-14-25)18-7-5-6-15(2)16(18)3/h5-9H,4,10-14H2,1-3H3,(H,21,26)
InChIKeyOTXSOGDDRUZNSG-UHFFFAOYSA-N
XLogP2.56
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylamino)propyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazine-3-carboxamide
CID 109115996
N-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109109270
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide
CID 109222825
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-pentylpyridine-2-carboxamide
CID 109194312
N-pentyl-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109123098
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109124021
6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide
CID 109109268
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109342971
N-pentyl-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112519
N-[2-(dimethylamino)ethyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109153888
1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide
CID 108970254
6-[4-[[4-(3-ethoxyphenyl)-3-methylphenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide
CID 169271667

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridazine-3-carboxamide?
The IUPAC name of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridazine-3-carboxamide (CID 109109265) is 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridazine-3-carboxamide is CCCNC(=O)c1ccc(N2CCN(c3cccc(C)c3C)CC2)nn1.
What is the InChIKey of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridazine-3-carboxamide?
The InChIKey is OTXSOGDDRUZNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-4-10-21-20(26)17-8-9-19(23-22-17)25-13-11-24(12-14-25)18-7-5-6-15(2)16(18)3/h5-9H,4,10-14H2,1-3H3,(H,21,26).
What are the key properties of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridazine-3-carboxamide?
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridazine-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridazine-3-carboxamide is sourced from PubChem (CID 109109265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).