4-[[4-(6-chloropyridazin-3-yl)piperazin-1-yl]methyl]-N-(2-hydroxyethyl)benzamide;hydrochloride

C18H23Cl2N5O2 — CID 19748283

IUPAC4-[[4-(6-chloropyridazin-3-yl)piperazin-1-yl]methyl]-N-(2-hydroxyethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCO)c1ccc(CN2CCN(c3ccc(Cl)nn3)CC2)cc1
InChIInChI=1S/C18H22ClN5O2.ClH/c19-16-5-6-17(22-21-16)24-10-8-23(9-11-24)13-14-1-3-15(4-2-14)18(26)20-7-12-25;/h1-6,25H,7-13H2,(H,20,26);1H
InChIKeyCSTRIZITBHLGTA-UHFFFAOYSA-N
MW412.32 g/mol
LogP1.60
Rot. Bonds6

About 4-[[4-(6-chloropyridazin-3-yl)piperazin-1-yl]methyl]-N-(2-hydroxyethyl)benzamide;hydrochloride

4-[[4-(6-chloropyridazin-3-yl)piperazin-1-yl]methyl]-N-(2-hydroxyethyl)benzamide;hydrochloride (PubChem CID 19748283) has the molecular formula C18H23Cl2N5O2 and a molecular weight of 412.32 g/mol. Its IUPAC name is 4-[[4-(6-chloropyridazin-3-yl)piperazin-1-yl]methyl]-N-(2-hydroxyethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-[[4-(6-chloropyridazin-3-yl)piperazin-1-yl]methyl]-N-(2-hydroxyethyl)benzamide;hydrochloride
PubChem CID19748283
Molecular FormulaC18H23Cl2N5O2
Molecular Weight412.32 g/mol
Exact Mass411.12
IUPAC Name4-[[4-(6-chloropyridazin-3-yl)piperazin-1-yl]methyl]-N-(2-hydroxyethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCO)c1ccc(CN2CCN(c3ccc(Cl)nn3)CC2)cc1
InChIInChI=1S/C18H22ClN5O2.ClH/c19-16-5-6-17(22-21-16)24-10-8-23(9-11-24)13-14-1-3-15(4-2-14)18(26)20-7-12-25;/h1-6,25H,7-13H2,(H,20,26);1H
InChIKeyCSTRIZITBHLGTA-UHFFFAOYSA-N
XLogP1.60
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 110903134
3-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]propan-1-ol
CID 86762798
N-(2-hydroxyethyl)-4-[2-oxo-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethyl]benzamide
CID 162386553
4-[[4-(4-benzylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-(2-phenylethyl)benzamide
CID 42766290
6-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154403
4-[[4-(4-benzylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-propylbenzamide
CID 3901694
2-[4-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol
CID 171701163
N-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94773934
3-chloro-6-[4-[(2-ethylphenyl)methyl]piperazin-1-yl]pyridazine
CID 50969918
N-[2-(ethylamino)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119504910
4-[[4-(4-benzylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-butylbenzamide
CID 42766288
4-(azepan-1-ylmethyl)-N-propylbenzamide
CID 43924202

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(6-chloropyridazin-3-yl)piperazin-1-yl]methyl]-N-(2-hydroxyethyl)benzamide;hydrochloride?
The IUPAC name of 4-[[4-(6-chloropyridazin-3-yl)piperazin-1-yl]methyl]-N-(2-hydroxyethyl)benzamide;hydrochloride (CID 19748283) is 4-[[4-(6-chloropyridazin-3-yl)piperazin-1-yl]methyl]-N-(2-hydroxyethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-[[4-(6-chloropyridazin-3-yl)piperazin-1-yl]methyl]-N-(2-hydroxyethyl)benzamide;hydrochloride?
The canonical SMILES for 4-[[4-(6-chloropyridazin-3-yl)piperazin-1-yl]methyl]-N-(2-hydroxyethyl)benzamide;hydrochloride is Cl.O=C(NCCO)c1ccc(CN2CCN(c3ccc(Cl)nn3)CC2)cc1.
What is the InChIKey of 4-[[4-(6-chloropyridazin-3-yl)piperazin-1-yl]methyl]-N-(2-hydroxyethyl)benzamide;hydrochloride?
The InChIKey is CSTRIZITBHLGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O2.ClH/c19-16-5-6-17(22-21-16)24-10-8-23(9-11-24)13-14-1-3-15(4-2-14)18(26)20-7-12-25;/h1-6,25H,7-13H2,(H,20,26);1H.
What are the key properties of 4-[[4-(6-chloropyridazin-3-yl)piperazin-1-yl]methyl]-N-(2-hydroxyethyl)benzamide;hydrochloride?
4-[[4-(6-chloropyridazin-3-yl)piperazin-1-yl]methyl]-N-(2-hydroxyethyl)benzamide;hydrochloride has a molecular weight of 412.32 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(6-chloropyridazin-3-yl)piperazin-1-yl]methyl]-N-(2-hydroxyethyl)benzamide;hydrochloride is sourced from PubChem (CID 19748283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).