2-cyclopropyl-N'-[4-methyl-5-(4-phenylpiperidin-1-yl)pyridazin-3-yl]acetohydrazide

C21H27N5O — CID 118108239

IUPAC2-cyclopropyl-N'-[4-methyl-5-(4-phenylpiperidin-1-yl)pyridazin-3-yl]acetohydrazide
SMILESCc1c(N2CCC(c3ccccc3)CC2)cnnc1NNC(=O)CC1CC1
InChIInChI=1S/C21H27N5O/c1-15-19(14-22-24-21(15)25-23-20(27)13-16-7-8-16)26-11-9-18(10-12-26)17-5-3-2-4-6-17/h2-6,14,16,18H,7-13H2,1H3,(H,23,27)(H,24,25)
InChIKeyIULUWQXLGSIXRQ-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.41
Rot. Bonds6

About 2-cyclopropyl-N'-[4-methyl-5-(4-phenylpiperidin-1-yl)pyridazin-3-yl]acetohydrazide

2-cyclopropyl-N'-[4-methyl-5-(4-phenylpiperidin-1-yl)pyridazin-3-yl]acetohydrazide (PubChem CID 118108239) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-cyclopropyl-N'-[4-methyl-5-(4-phenylpiperidin-1-yl)pyridazin-3-yl]acetohydrazide.

Molecular Properties

Compound Name2-cyclopropyl-N'-[4-methyl-5-(4-phenylpiperidin-1-yl)pyridazin-3-yl]acetohydrazide
PubChem CID118108239
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name2-cyclopropyl-N'-[4-methyl-5-(4-phenylpiperidin-1-yl)pyridazin-3-yl]acetohydrazide
SMILESCc1c(N2CCC(c3ccccc3)CC2)cnnc1NNC(=O)CC1CC1
InChIInChI=1S/C21H27N5O/c1-15-19(14-22-24-21(15)25-23-20(27)13-16-7-8-16)26-11-9-18(10-12-26)17-5-3-2-4-6-17/h2-6,14,16,18H,7-13H2,1H3,(H,23,27)(H,24,25)
InChIKeyIULUWQXLGSIXRQ-UHFFFAOYSA-N
XLogP3.41
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-methyl-5-(4-phenylpiperidin-1-yl)pyridazin-3-yl]hydrazine
CID 118108204
2-cyclopropyl-N'-[6-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]acetohydrazide
CID 118108072
3-methyl-4-(4-phenylpiperidin-1-yl)pyridine
CID 137318862
2-(4-phenylpiperidin-1-yl)benzoic acid
CID 125468631
2-methyl-3-[[2-(4-phenylcyclohexyl)acetyl]amino]propanoic acid
CID 119237415
2-cyclopropyl-N'-[4-(4-fluoro-4-phenylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]acetohydrazide
CID 66788385
1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone
CID 119562932
ethane;2-(4-phenylcyclohexyl)-N-(4-phenylphenyl)acetamide
CID 145078209
N-(2-ethylsulfonylethyl)-2-(4-phenylcyclohexyl)acetamide
CID 75407157
2-(4-phenylcyclohexyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119453044
N-[(3-methyl-4-pyridinyl)methyl]-2-(4-phenylpiperidin-1-yl)acetamide
CID 91781720
methyl 2-(4-phenylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 134793006

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N'-[4-methyl-5-(4-phenylpiperidin-1-yl)pyridazin-3-yl]acetohydrazide?
The IUPAC name of 2-cyclopropyl-N'-[4-methyl-5-(4-phenylpiperidin-1-yl)pyridazin-3-yl]acetohydrazide (CID 118108239) is 2-cyclopropyl-N'-[4-methyl-5-(4-phenylpiperidin-1-yl)pyridazin-3-yl]acetohydrazide.
What is the SMILES notation for 2-cyclopropyl-N'-[4-methyl-5-(4-phenylpiperidin-1-yl)pyridazin-3-yl]acetohydrazide?
The canonical SMILES for 2-cyclopropyl-N'-[4-methyl-5-(4-phenylpiperidin-1-yl)pyridazin-3-yl]acetohydrazide is Cc1c(N2CCC(c3ccccc3)CC2)cnnc1NNC(=O)CC1CC1.
What is the InChIKey of 2-cyclopropyl-N'-[4-methyl-5-(4-phenylpiperidin-1-yl)pyridazin-3-yl]acetohydrazide?
The InChIKey is IULUWQXLGSIXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-15-19(14-22-24-21(15)25-23-20(27)13-16-7-8-16)26-11-9-18(10-12-26)17-5-3-2-4-6-17/h2-6,14,16,18H,7-13H2,1H3,(H,23,27)(H,24,25).
What are the key properties of 2-cyclopropyl-N'-[4-methyl-5-(4-phenylpiperidin-1-yl)pyridazin-3-yl]acetohydrazide?
2-cyclopropyl-N'-[4-methyl-5-(4-phenylpiperidin-1-yl)pyridazin-3-yl]acetohydrazide has a molecular weight of 365.48 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N'-[4-methyl-5-(4-phenylpiperidin-1-yl)pyridazin-3-yl]acetohydrazide is sourced from PubChem (CID 118108239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).