N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]-2-methylbenzamide

C18H20N4O2 — CID 113026048

IUPACN-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(N2CCN(C=O)CC2)cn1
InChIInChI=1S/C18H20N4O2/c1-14-4-2-3-5-16(14)18(24)20-17-7-6-15(12-19-17)22-10-8-21(13-23)9-11-22/h2-7,12-13H,8-11H2,1H3,(H,19,20,24)
InChIKeyZKHVAYAAGBTBQK-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.92
Rot. Bonds4

About N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]-2-methylbenzamide

N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]-2-methylbenzamide (PubChem CID 113026048) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]-2-methylbenzamide
PubChem CID113026048
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(N2CCN(C=O)CC2)cn1
InChIInChI=1S/C18H20N4O2/c1-14-4-2-3-5-16(14)18(24)20-17-7-6-15(12-19-17)22-10-8-21(13-23)9-11-22/h2-7,12-13H,8-11H2,1H3,(H,19,20,24)
InChIKeyZKHVAYAAGBTBQK-UHFFFAOYSA-N
XLogP1.92
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 113026047
2-chloro-N-(5-piperidin-1-yl-2-pyridinyl)benzamide
CID 113024603
ethyl 2-[[5-(4-formylpiperazin-1-yl)pyridine-2-carbonyl]amino]benzoate
CID 109187201
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009
2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494622
N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide
CID 113026042
3-methyl-2-nitro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494185
4-fluoro-3,5-dimethyl-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 146084918
2-methylsulfanyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494252
5-bromo-2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494211
4-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide
CID 32947923
3-(3,4-dimethoxyphenyl)-N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]propanamide
CID 113026085

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]-2-methylbenzamide?
The IUPAC name of N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]-2-methylbenzamide (CID 113026048) is N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]-2-methylbenzamide.
What is the SMILES notation for N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]-2-methylbenzamide?
The canonical SMILES for N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(N2CCN(C=O)CC2)cn1.
What is the InChIKey of N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]-2-methylbenzamide?
The InChIKey is ZKHVAYAAGBTBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-14-4-2-3-5-16(14)18(24)20-17-7-6-15(12-19-17)22-10-8-21(13-23)9-11-22/h2-7,12-13H,8-11H2,1H3,(H,19,20,24).
What are the key properties of N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]-2-methylbenzamide?
N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]-2-methylbenzamide has a molecular weight of 324.38 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]-2-methylbenzamide is sourced from PubChem (CID 113026048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).