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

C22H33N5O2 — CID 11338533

IUPACN-(2-cyclopropylethyl)-6-[4-(2-methylcyclohexanecarbonyl)piperazin-1-yl]pyridazine-3-carboxamide
SMILESCC1CCCCC1C(=O)N1CCN(c2ccc(C(=O)NCCC3CC3)nn2)CC1
InChIInChI=1S/C22H33N5O2/c1-16-4-2-3-5-18(16)22(29)27-14-12-26(13-15-27)20-9-8-19(24-25-20)21(28)23-11-10-17-6-7-17/h8-9,16-18H,2-7,10-15H2,1H3,(H,23,28)
InChIKeyRIKHYRIMBJOBEB-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.48
Rot. Bonds6

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

N-(2-cyclopropylethyl)-6-[4-(2-methylcyclohexanecarbonyl)piperazin-1-yl]pyridazine-3-carboxamide (PubChem CID 11338533) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-6-[4-(2-methylcyclohexanecarbonyl)piperazin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-6-[4-(2-methylcyclohexanecarbonyl)piperazin-1-yl]pyridazine-3-carboxamide
PubChem CID11338533
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC NameN-(2-cyclopropylethyl)-6-[4-(2-methylcyclohexanecarbonyl)piperazin-1-yl]pyridazine-3-carboxamide
SMILESCC1CCCCC1C(=O)N1CCN(c2ccc(C(=O)NCCC3CC3)nn2)CC1
InChIInChI=1S/C22H33N5O2/c1-16-4-2-3-5-18(16)22(29)27-14-12-26(13-15-27)20-9-8-19(24-25-20)21(28)23-11-10-17-6-7-17/h8-9,16-18H,2-7,10-15H2,1H3,(H,23,28)
InChIKeyRIKHYRIMBJOBEB-UHFFFAOYSA-N
XLogP2.48
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-DIMETHYLAMINOBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11339214
6-[4-(2,5-DIMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11350306
6-[4-(3,3,3-TRIFLUORO-2-METHYL-2-TRIFLUOROMETHYLPROPIONYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11442719
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
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (3-CYCLOPROPYLPROPYL)AMIDE
CID 11488029
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-OXO-2-PHENYLETHYL)AMIDE
CID 11670502

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-6-[4-(2-methylcyclohexanecarbonyl)piperazin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of N-(2-cyclopropylethyl)-6-[4-(2-methylcyclohexanecarbonyl)piperazin-1-yl]pyridazine-3-carboxamide (CID 11338533) is N-(2-cyclopropylethyl)-6-[4-(2-methylcyclohexanecarbonyl)piperazin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-cyclopropylethyl)-6-[4-(2-methylcyclohexanecarbonyl)piperazin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-(2-cyclopropylethyl)-6-[4-(2-methylcyclohexanecarbonyl)piperazin-1-yl]pyridazine-3-carboxamide is CC1CCCCC1C(=O)N1CCN(c2ccc(C(=O)NCCC3CC3)nn2)CC1.
What is the InChIKey of N-(2-cyclopropylethyl)-6-[4-(2-methylcyclohexanecarbonyl)piperazin-1-yl]pyridazine-3-carboxamide?
The InChIKey is RIKHYRIMBJOBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/c1-16-4-2-3-5-18(16)22(29)27-14-12-26(13-15-27)20-9-8-19(24-25-20)21(28)23-11-10-17-6-7-17/h8-9,16-18H,2-7,10-15H2,1H3,(H,23,28).
What are the key properties of N-(2-cyclopropylethyl)-6-[4-(2-methylcyclohexanecarbonyl)piperazin-1-yl]pyridazine-3-carboxamide?
N-(2-cyclopropylethyl)-6-[4-(2-methylcyclohexanecarbonyl)piperazin-1-yl]pyridazine-3-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 2.48, 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-methylcyclohexanecarbonyl)piperazin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 11338533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).