6-[4-[2-chloro-5-(dimethylamino)benzoyl]piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide

C23H29ClN6O2 — CID 11248086

IUPAC6-[4-[2-chloro-5-(dimethylamino)benzoyl]piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide
SMILESCN(C)c1ccc(Cl)c(C(=O)N2CCN(c3ccc(C(=O)NCCC4CC4)nn3)CC2)c1
InChIInChI=1S/C23H29ClN6O2/c1-28(2)17-5-6-19(24)18(15-17)23(32)30-13-11-29(12-14-30)21-8-7-20(26-27-21)22(31)25-10-9-16-3-4-16/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,25,31)
InChIKeyGUAHBTVDUIQVBP-UHFFFAOYSA-N
MW456.98 g/mol
LogP2.69
Rot. Bonds7

About 6-[4-[2-chloro-5-(dimethylamino)benzoyl]piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide

6-[4-[2-chloro-5-(dimethylamino)benzoyl]piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide (PubChem CID 11248086) has the molecular formula C23H29ClN6O2 and a molecular weight of 456.98 g/mol. Its IUPAC name is 6-[4-[2-chloro-5-(dimethylamino)benzoyl]piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[2-chloro-5-(dimethylamino)benzoyl]piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide
PubChem CID11248086
Molecular FormulaC23H29ClN6O2
Molecular Weight456.98 g/mol
Exact Mass456.20
IUPAC Name6-[4-[2-chloro-5-(dimethylamino)benzoyl]piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide
SMILESCN(C)c1ccc(Cl)c(C(=O)N2CCN(c3ccc(C(=O)NCCC4CC4)nn3)CC2)c1
InChIInChI=1S/C23H29ClN6O2/c1-28(2)17-5-6-19(24)18(15-17)23(32)30-13-11-29(12-14-30)21-8-7-20(26-27-21)22(31)25-10-9-16-3-4-16/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,25,31)
InChIKeyGUAHBTVDUIQVBP-UHFFFAOYSA-N
XLogP2.69
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.98
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[4-[2-chloro-5-(dimethylamino)benzoyl]piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-chloro-5-(dimethylamino)benzoyl]piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[4-[2-chloro-5-(dimethylamino)benzoyl]piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide (CID 11248086) is 6-[4-[2-chloro-5-(dimethylamino)benzoyl]piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-[2-chloro-5-(dimethylamino)benzoyl]piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[4-[2-chloro-5-(dimethylamino)benzoyl]piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide is CN(C)c1ccc(Cl)c(C(=O)N2CCN(c3ccc(C(=O)NCCC4CC4)nn3)CC2)c1.
What is the InChIKey of 6-[4-[2-chloro-5-(dimethylamino)benzoyl]piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide?
The InChIKey is GUAHBTVDUIQVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN6O2/c1-28(2)17-5-6-19(24)18(15-17)23(32)30-13-11-29(12-14-30)21-8-7-20(26-27-21)22(31)25-10-9-16-3-4-16/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,25,31).
What are the key properties of 6-[4-[2-chloro-5-(dimethylamino)benzoyl]piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide?
6-[4-[2-chloro-5-(dimethylamino)benzoyl]piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide has a molecular weight of 456.98 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-chloro-5-(dimethylamino)benzoyl]piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 11248086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).