2-bromo-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzamide

C17H17BrN4O2 — CID 113011122

IUPAC2-bromo-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzamide
SMILESO=CN1CCN(c2ccc(NC(=O)c3ccccc3Br)cn2)CC1
InChIInChI=1S/C17H17BrN4O2/c18-15-4-2-1-3-14(15)17(24)20-13-5-6-16(19-11-13)22-9-7-21(12-23)8-10-22/h1-6,11-12H,7-10H2,(H,20,24)
InChIKeyMFWLVNSJEAPUFZ-UHFFFAOYSA-N
MW389.25 g/mol
LogP2.37
Rot. Bonds4

About 2-bromo-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzamide

2-bromo-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzamide (PubChem CID 113011122) has the molecular formula C17H17BrN4O2 and a molecular weight of 389.25 g/mol. Its IUPAC name is 2-bromo-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzamide
PubChem CID113011122
Molecular FormulaC17H17BrN4O2
Molecular Weight389.25 g/mol
Exact Mass388.05
IUPAC Name2-bromo-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzamide
SMILESO=CN1CCN(c2ccc(NC(=O)c3ccccc3Br)cn2)CC1
InChIInChI=1S/C17H17BrN4O2/c18-15-4-2-1-3-14(15)17(24)20-13-5-6-16(19-11-13)22-9-7-21(12-23)8-10-22/h1-6,11-12H,7-10H2,(H,20,24)
InChIKeyMFWLVNSJEAPUFZ-UHFFFAOYSA-N
XLogP2.37
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 52.37
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-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 113011103
1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55967635
2-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 119946355
2-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014414
1-cyclohexyl-3-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]urea
CID 113011163
2-(4-fluorophenyl)-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 113011137
N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113011160
2-(2-bromophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 113009839
N-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154932
2-bromo-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 41078004
2-(4-fluorobenzoyl)-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 46553100
2-bromo-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 16800087

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzamide?
The IUPAC name of 2-bromo-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzamide (CID 113011122) is 2-bromo-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 2-bromo-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 2-bromo-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzamide is O=CN1CCN(c2ccc(NC(=O)c3ccccc3Br)cn2)CC1.
What is the InChIKey of 2-bromo-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzamide?
The InChIKey is MFWLVNSJEAPUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O2/c18-15-4-2-1-3-14(15)17(24)20-13-5-6-16(19-11-13)22-9-7-21(12-23)8-10-22/h1-6,11-12H,7-10H2,(H,20,24).
What are the key properties of 2-bromo-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzamide?
2-bromo-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzamide has a molecular weight of 389.25 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 113011122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).