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

C16H14BrClN4O2 — CID 60511463

IUPAC4-bromo-2-chloro-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
SMILESO=C1CN(c2ccc(NC(=O)c3ccc(Br)cc3Cl)cn2)CCN1
InChIInChI=1S/C16H14BrClN4O2/c17-10-1-3-12(13(18)7-10)16(24)21-11-2-4-14(20-8-11)22-6-5-19-15(23)9-22/h1-4,7-8H,5-6,9H2,(H,19,23)(H,21,24)
InChIKeyULBIUAFVEJBASP-UHFFFAOYSA-N
MW409.67 g/mol
LogP2.69
Rot. Bonds3

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

4-bromo-2-chloro-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide (PubChem CID 60511463) has the molecular formula C16H14BrClN4O2 and a molecular weight of 409.67 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
PubChem CID60511463
Molecular FormulaC16H14BrClN4O2
Molecular Weight409.67 g/mol
Exact Mass408.00
IUPAC Name4-bromo-2-chloro-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
SMILESO=C1CN(c2ccc(NC(=O)c3ccc(Br)cc3Cl)cn2)CCN1
InChIInChI=1S/C16H14BrClN4O2/c17-10-1-3-12(13(18)7-10)16(24)21-11-2-4-14(20-8-11)22-6-5-19-15(23)9-22/h1-4,7-8H,5-6,9H2,(H,19,23)(H,21,24)
InChIKeyULBIUAFVEJBASP-UHFFFAOYSA-N
XLogP2.69
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.67
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 38941033
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 38941036
1-(3-bromophenyl)-2,5-dimethyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyrrole-3-carboxamide
CID 60544873
2-methoxy-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide
CID 38940028
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
5-(4-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrazole-4-carboxamide
CID 38940282
5-bromo-2-chloro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 34442516
2-[(1S)-cyclopent-2-en-1-yl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
CID 38940674
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-2-pyrrolidin-2-ylacetamide
CID 119846046
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]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 34587172

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide?
The IUPAC name of 4-bromo-2-chloro-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide (CID 60511463) is 4-bromo-2-chloro-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-bromo-2-chloro-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide is O=C1CN(c2ccc(NC(=O)c3ccc(Br)cc3Cl)cn2)CCN1.
What is the InChIKey of 4-bromo-2-chloro-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide?
The InChIKey is ULBIUAFVEJBASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN4O2/c17-10-1-3-12(13(18)7-10)16(24)21-11-2-4-14(20-8-11)22-6-5-19-15(23)9-22/h1-4,7-8H,5-6,9H2,(H,19,23)(H,21,24).
What are the key properties of 4-bromo-2-chloro-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide?
4-bromo-2-chloro-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide has a molecular weight of 409.67 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 60511463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).