N-(2-cyclopropylethyl)-6-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridazine-3-carboxamide

C21H23Cl2N5O2 — CID 11408261

IUPACN-(2-cyclopropylethyl)-6-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridazine-3-carboxamide
SMILESO=C(NCCC1CC1)c1ccc(N2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)nn1
InChIInChI=1S/C21H23Cl2N5O2/c22-15-3-4-17(23)16(13-15)21(30)28-11-9-27(10-12-28)19-6-5-18(25-26-19)20(29)24-8-7-14-1-2-14/h3-6,13-14H,1-2,7-12H2,(H,24,29)
InChIKeyUPRHRDVCISBLNY-UHFFFAOYSA-N
MW448.35 g/mol
LogP3.28
Rot. Bonds6

About N-(2-cyclopropylethyl)-6-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridazine-3-carboxamide

N-(2-cyclopropylethyl)-6-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridazine-3-carboxamide (PubChem CID 11408261) has the molecular formula C21H23Cl2N5O2 and a molecular weight of 448.35 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-6-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-6-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridazine-3-carboxamide
PubChem CID11408261
Molecular FormulaC21H23Cl2N5O2
Molecular Weight448.35 g/mol
Exact Mass447.12
IUPAC NameN-(2-cyclopropylethyl)-6-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridazine-3-carboxamide
SMILESO=C(NCCC1CC1)c1ccc(N2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)nn1
InChIInChI=1S/C21H23Cl2N5O2/c22-15-3-4-17(23)16(13-15)21(30)28-11-9-27(10-12-28)19-6-5-18(25-26-19)20(29)24-8-7-14-1-2-14/h3-6,13-14H,1-2,7-12H2,(H,24,29)
InChIKeyUPRHRDVCISBLNY-UHFFFAOYSA-N
XLogP3.28
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-cyclopropylethyl)-6-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]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 N-(2-cyclopropylethyl)-6-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of N-(2-cyclopropylethyl)-6-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridazine-3-carboxamide (CID 11408261) is N-(2-cyclopropylethyl)-6-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-cyclopropylethyl)-6-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-(2-cyclopropylethyl)-6-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridazine-3-carboxamide is O=C(NCCC1CC1)c1ccc(N2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)nn1.
What is the InChIKey of N-(2-cyclopropylethyl)-6-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridazine-3-carboxamide?
The InChIKey is UPRHRDVCISBLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N5O2/c22-15-3-4-17(23)16(13-15)21(30)28-11-9-27(10-12-28)19-6-5-18(25-26-19)20(29)24-8-7-14-1-2-14/h3-6,13-14H,1-2,7-12H2,(H,24,29).
What are the key properties of N-(2-cyclopropylethyl)-6-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridazine-3-carboxamide?
N-(2-cyclopropylethyl)-6-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridazine-3-carboxamide has a molecular weight of 448.35 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-6-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 11408261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).