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

C16H15IN4O2 — CID 38940951

IUPAC3-iodo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
SMILESO=C1CN(c2ccc(NC(=O)c3cccc(I)c3)cn2)CCN1
InChIInChI=1S/C16H15IN4O2/c17-12-3-1-2-11(8-12)16(23)20-13-4-5-14(19-9-13)21-7-6-18-15(22)10-21/h1-5,8-9H,6-7,10H2,(H,18,22)(H,20,23)
InChIKeyMKFFDKCKRSDTPX-UHFFFAOYSA-N
MW422.23 g/mol
LogP1.87
Rot. Bonds3

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

3-iodo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide (PubChem CID 38940951) has the molecular formula C16H15IN4O2 and a molecular weight of 422.23 g/mol. Its IUPAC name is 3-iodo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-iodo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
PubChem CID38940951
Molecular FormulaC16H15IN4O2
Molecular Weight422.23 g/mol
Exact Mass422.02
IUPAC Name3-iodo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
SMILESO=C1CN(c2ccc(NC(=O)c3cccc(I)c3)cn2)CCN1
InChIInChI=1S/C16H15IN4O2/c17-12-3-1-2-11(8-12)16(23)20-13-4-5-14(19-9-13)21-7-6-18-15(22)10-21/h1-5,8-9H,6-7,10H2,(H,18,22)(H,20,23)
InChIKeyMKFFDKCKRSDTPX-UHFFFAOYSA-N
XLogP1.87
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.23
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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
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
4-bromo-2-chloro-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 60511463
5-(4-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrazole-4-carboxamide
CID 38940282
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 38940142
4-(2-methylsulfanylimidazol-1-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 51117639
1-(3-bromophenyl)-2,5-dimethyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyrrole-3-carboxamide
CID 60544873
2-(3-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
CID 34599898
N-[3-[[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55763705
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-2-pyrrolidin-2-ylacetamide
CID 119846046

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide?
The IUPAC name of 3-iodo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide (CID 38940951) is 3-iodo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 3-iodo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 3-iodo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide is O=C1CN(c2ccc(NC(=O)c3cccc(I)c3)cn2)CCN1.
What is the InChIKey of 3-iodo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide?
The InChIKey is MKFFDKCKRSDTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN4O2/c17-12-3-1-2-11(8-12)16(23)20-13-4-5-14(19-9-13)21-7-6-18-15(22)10-21/h1-5,8-9H,6-7,10H2,(H,18,22)(H,20,23).
What are the key properties of 3-iodo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide?
3-iodo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide has a molecular weight of 422.23 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 38940951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).