5-bromo-2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide

C17H19BrN4O — CID 119494211

IUPAC5-bromo-2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
SMILESCc1ccc(Br)cc1C(=O)Nc1ccc(N2CCNCC2)cn1
InChIInChI=1S/C17H19BrN4O/c1-12-2-3-13(18)10-15(12)17(23)21-16-5-4-14(11-20-16)22-8-6-19-7-9-22/h2-5,10-11,19H,6-9H2,1H3,(H,20,21,23)
InChIKeyHZPKLXMPOAJLMB-UHFFFAOYSA-N
MW375.27 g/mol
LogP2.81
Rot. Bonds3

About 5-bromo-2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide

5-bromo-2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide (PubChem CID 119494211) has the molecular formula C17H19BrN4O and a molecular weight of 375.27 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
PubChem CID119494211
Molecular FormulaC17H19BrN4O
Molecular Weight375.27 g/mol
Exact Mass374.07
IUPAC Name5-bromo-2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
SMILESCc1ccc(Br)cc1C(=O)Nc1ccc(N2CCNCC2)cn1
InChIInChI=1S/C17H19BrN4O/c1-12-2-3-13(18)10-15(12)17(23)21-16-5-4-14(11-20-16)22-8-6-19-7-9-22/h2-5,10-11,19H,6-9H2,1H3,(H,20,21,23)
InChIKeyHZPKLXMPOAJLMB-UHFFFAOYSA-N
XLogP2.81
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494622
5-methyl-N-(5-piperazin-1-yl-2-pyridinyl)furan-2-carboxamide
CID 119494477
6-methyl-N-(5-piperazin-1-yl-2-pyridinyl)pyridine-3-carboxamide;dihydrochloride
CID 119494408
5-chloro-2-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494570
3-methyl-2-nitro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494185
2,4-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)-1,3-oxazole-5-carboxamide;hydrochloride
CID 119494520
3,4-dichloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494091
2-methylsulfanyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494252
4,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide
CID 167750453
4-methyl-1-phenyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrazole-3-carboxamide
CID 166238411
6-chloro-4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-1H-indole-2-carboxamide
CID 167808805
3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494063

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide?
The IUPAC name of 5-bromo-2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide (CID 119494211) is 5-bromo-2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide?
The canonical SMILES for 5-bromo-2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide is Cc1ccc(Br)cc1C(=O)Nc1ccc(N2CCNCC2)cn1.
What is the InChIKey of 5-bromo-2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide?
The InChIKey is HZPKLXMPOAJLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O/c1-12-2-3-13(18)10-15(12)17(23)21-16-5-4-14(11-20-16)22-8-6-19-7-9-22/h2-5,10-11,19H,6-9H2,1H3,(H,20,21,23).
What are the key properties of 5-bromo-2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide?
5-bromo-2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide has a molecular weight of 375.27 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide is sourced from PubChem (CID 119494211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).