2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride

C16H18Cl2N4O — CID 119494622

IUPAC2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
SMILESCl.O=C(Nc1ccc(N2CCNCC2)cn1)c1ccccc1Cl
InChIInChI=1S/C16H17ClN4O.ClH/c17-14-4-2-1-3-13(14)16(22)20-15-6-5-12(11-19-15)21-9-7-18-8-10-21;/h1-6,11,18H,7-10H2,(H,19,20,22);1H
InChIKeyLGEKZTUBENAAPS-UHFFFAOYSA-N
MW353.25 g/mol
LogP2.82
Rot. Bonds3

About 2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride

2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride (PubChem CID 119494622) has the molecular formula C16H18Cl2N4O and a molecular weight of 353.25 g/mol. Its IUPAC name is 2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
PubChem CID119494622
Molecular FormulaC16H18Cl2N4O
Molecular Weight353.25 g/mol
Exact Mass352.09
IUPAC Name2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
SMILESCl.O=C(Nc1ccc(N2CCNCC2)cn1)c1ccccc1Cl
InChIInChI=1S/C16H17ClN4O.ClH/c17-14-4-2-1-3-13(14)16(22)20-15-6-5-12(11-19-15)21-9-7-18-8-10-21;/h1-6,11,18H,7-10H2,(H,19,20,22);1H
InChIKeyLGEKZTUBENAAPS-UHFFFAOYSA-N
XLogP2.82
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride?
The IUPAC name of 2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride (CID 119494622) is 2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride?
The canonical SMILES for 2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride is Cl.O=C(Nc1ccc(N2CCNCC2)cn1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride?
The InChIKey is LGEKZTUBENAAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O.ClH/c17-14-4-2-1-3-13(14)16(22)20-15-6-5-12(11-19-15)21-9-7-18-8-10-21;/h1-6,11,18H,7-10H2,(H,19,20,22);1H.
What are the key properties of 2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride?
2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride has a molecular weight of 353.25 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride is sourced from PubChem (CID 119494622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).