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

C23H29N5O2 — CID 11350306

IUPACN-(2-cyclopropylethyl)-6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxamide
SMILESCc1ccc(C)c(C(=O)N2CCN(c3ccc(C(=O)NCCC4CC4)nn3)CC2)c1
InChIInChI=1S/C23H29N5O2/c1-16-3-4-17(2)19(15-16)23(30)28-13-11-27(12-14-28)21-8-7-20(25-26-21)22(29)24-10-9-18-5-6-18/h3-4,7-8,15,18H,5-6,9-14H2,1-2H3,(H,24,29)
InChIKeyKOCLPXHENKOLAS-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.59
Rot. Bonds6

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

N-(2-cyclopropylethyl)-6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxamide (PubChem CID 11350306) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxamide
PubChem CID11350306
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-(2-cyclopropylethyl)-6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxamide
SMILESCc1ccc(C)c(C(=O)N2CCN(c3ccc(C(=O)NCCC4CC4)nn3)CC2)c1
InChIInChI=1S/C23H29N5O2/c1-16-3-4-17(2)19(15-16)23(30)28-13-11-27(12-14-28)21-8-7-20(25-26-21)22(29)24-10-9-18-5-6-18/h3-4,7-8,15,18H,5-6,9-14H2,1-2H3,(H,24,29)
InChIKeyKOCLPXHENKOLAS-UHFFFAOYSA-N
XLogP2.59
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-(2-(4-Isopropylphenyl)acetyl)piperazin-1-yl)pyridazine-3-carbonitrile
CID 132260806
Mlkl-IN-2
CID 7593182
6-[4-(3-FLUORO-2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11178786
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (4-CYCLOPROPYLBUTYL)AMIDE
CID 11178995
6-[4-(2,5-BIS-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11191545
6-[4-(4-FLUORO-2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11202128
6-[4-(5-CHLORO-2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11271611
6-[4-(2-METHYLCYCLOHEXANECARBONYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11338533
6-[4-(2-DIMETHYLAMINOBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11339214
6-[4-(2,5-Dichlorobenzoyl)piperazin-1-yl]pyridazine-3-carboxylic acid (2-cyclopropylethyl)amide
CID 11408261
6-[4-(2-CHLORO-5-FLUOROBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11453250
N-(2-cyclopropylethyl)-6-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)pyridazine-3-carboxamide
CID 11487680

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of N-(2-cyclopropylethyl)-6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxamide (CID 11350306) is N-(2-cyclopropylethyl)-6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-cyclopropylethyl)-6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-(2-cyclopropylethyl)-6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxamide is Cc1ccc(C)c(C(=O)N2CCN(c3ccc(C(=O)NCCC4CC4)nn3)CC2)c1.
What is the InChIKey of N-(2-cyclopropylethyl)-6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxamide?
The InChIKey is KOCLPXHENKOLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-16-3-4-17(2)19(15-16)23(30)28-13-11-27(12-14-28)21-8-7-20(25-26-21)22(29)24-10-9-18-5-6-18/h3-4,7-8,15,18H,5-6,9-14H2,1-2H3,(H,24,29).
What are the key properties of N-(2-cyclopropylethyl)-6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxamide?
N-(2-cyclopropylethyl)-6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 2.59, 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-dimethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 11350306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).