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

C16H15BrN4O2 — CID 38941033

IUPAC4-bromo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
SMILESO=C1CN(c2ccc(NC(=O)c3ccc(Br)cc3)cn2)CCN1
InChIInChI=1S/C16H15BrN4O2/c17-12-3-1-11(2-4-12)16(23)20-13-5-6-14(19-9-13)21-8-7-18-15(22)10-21/h1-6,9H,7-8,10H2,(H,18,22)(H,20,23)
InChIKeyLVYNSGVEHVYVTA-UHFFFAOYSA-N
MW375.23 g/mol
LogP2.03
Rot. Bonds3

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

4-bromo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide (PubChem CID 38941033) has the molecular formula C16H15BrN4O2 and a molecular weight of 375.23 g/mol. Its IUPAC name is 4-bromo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
PubChem CID38941033
Molecular FormulaC16H15BrN4O2
Molecular Weight375.23 g/mol
Exact Mass374.04
IUPAC Name4-bromo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
SMILESO=C1CN(c2ccc(NC(=O)c3ccc(Br)cc3)cn2)CCN1
InChIInChI=1S/C16H15BrN4O2/c17-12-3-1-11(2-4-12)16(23)20-13-5-6-14(19-9-13)21-8-7-18-15(22)10-21/h1-6,9H,7-8,10H2,(H,18,22)(H,20,23)
InChIKeyLVYNSGVEHVYVTA-UHFFFAOYSA-N
XLogP2.03
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-chloro-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 60511463
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 38940142
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 38941036
3-iodo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 38940951
trans-(1R,2R)-2-(4-bromophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 97011933
4-(2-methylsulfanylimidazol-1-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 51117639
2-methoxy-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide
CID 38940028
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 34587172
1-(3-bromophenyl)-2,5-dimethyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyrrole-3-carboxamide
CID 60544873
5-(4-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrazole-4-carboxamide
CID 38940282
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-2-pyrrolidin-2-ylacetamide
CID 119846046
2-[(1S)-cyclopent-2-en-1-yl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
CID 38940674

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide?
The IUPAC name of 4-bromo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide (CID 38941033) is 4-bromo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-bromo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-bromo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide is O=C1CN(c2ccc(NC(=O)c3ccc(Br)cc3)cn2)CCN1.
What is the InChIKey of 4-bromo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide?
The InChIKey is LVYNSGVEHVYVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O2/c17-12-3-1-11(2-4-12)16(23)20-13-5-6-14(19-9-13)21-8-7-18-15(22)10-21/h1-6,9H,7-8,10H2,(H,18,22)(H,20,23).
What are the key properties of 4-bromo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide?
4-bromo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide has a molecular weight of 375.23 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 38941033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).