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

C22H33N5O2 — CID 11304116

IUPACN-(2-cyclopropylethyl)-6-[4-(3-methylcyclohexanecarbonyl)piperazin-1-yl]pyridazine-3-carboxamide
SMILESCC1CCCC(C(=O)N2CCN(c3ccc(C(=O)NCCC4CC4)nn3)CC2)C1
InChIInChI=1S/C22H33N5O2/c1-16-3-2-4-18(15-16)22(29)27-13-11-26(12-14-27)20-8-7-19(24-25-20)21(28)23-10-9-17-5-6-17/h7-8,16-18H,2-6,9-15H2,1H3,(H,23,28)
InChIKeyHBNZOEKUZWRTRC-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.48
Rot. Bonds6

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

N-(2-cyclopropylethyl)-6-[4-(3-methylcyclohexanecarbonyl)piperazin-1-yl]pyridazine-3-carboxamide (PubChem CID 11304116) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-6-[4-(3-methylcyclohexanecarbonyl)piperazin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-6-[4-(3-methylcyclohexanecarbonyl)piperazin-1-yl]pyridazine-3-carboxamide
PubChem CID11304116
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC NameN-(2-cyclopropylethyl)-6-[4-(3-methylcyclohexanecarbonyl)piperazin-1-yl]pyridazine-3-carboxamide
SMILESCC1CCCC(C(=O)N2CCN(c3ccc(C(=O)NCCC4CC4)nn3)CC2)C1
InChIInChI=1S/C22H33N5O2/c1-16-3-2-4-18(15-16)22(29)27-13-11-26(12-14-27)20-8-7-19(24-25-20)21(28)23-10-9-17-5-6-17/h7-8,16-18H,2-6,9-15H2,1H3,(H,23,28)
InChIKeyHBNZOEKUZWRTRC-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-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide;N-(2-cyclobutylethyl)-6-piperazin-1-ylpyridazine-3-carboxamide
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N-(cyclobutylmethyl)-6-piperidin-1-ylpyridazine-3-carboxamide
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N-(2-cyclopropylethyl)-6-[4-[3-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 11178786
6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide
CID 11950710
6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide
CID 86026045
6-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109113907
N-(2-aminoethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
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6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109113164
N-pentyl-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112519
6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109604
6-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide
CID 166045215

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-6-[4-(3-methylcyclohexanecarbonyl)piperazin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of N-(2-cyclopropylethyl)-6-[4-(3-methylcyclohexanecarbonyl)piperazin-1-yl]pyridazine-3-carboxamide (CID 11304116) is N-(2-cyclopropylethyl)-6-[4-(3-methylcyclohexanecarbonyl)piperazin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-cyclopropylethyl)-6-[4-(3-methylcyclohexanecarbonyl)piperazin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-(2-cyclopropylethyl)-6-[4-(3-methylcyclohexanecarbonyl)piperazin-1-yl]pyridazine-3-carboxamide is CC1CCCC(C(=O)N2CCN(c3ccc(C(=O)NCCC4CC4)nn3)CC2)C1.
What is the InChIKey of N-(2-cyclopropylethyl)-6-[4-(3-methylcyclohexanecarbonyl)piperazin-1-yl]pyridazine-3-carboxamide?
The InChIKey is HBNZOEKUZWRTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/c1-16-3-2-4-18(15-16)22(29)27-13-11-26(12-14-27)20-8-7-19(24-25-20)21(28)23-10-9-17-5-6-17/h7-8,16-18H,2-6,9-15H2,1H3,(H,23,28).
What are the key properties of N-(2-cyclopropylethyl)-6-[4-(3-methylcyclohexanecarbonyl)piperazin-1-yl]pyridazine-3-carboxamide?
N-(2-cyclopropylethyl)-6-[4-(3-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-(3-methylcyclohexanecarbonyl)piperazin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 11304116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).