4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]piperazine-2,6-dione

C12H14Cl2N4O2 — CID 102758853

IUPAC4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]piperazine-2,6-dione
SMILESCCCNc1nc(N2CC(=O)NC(=O)C2)c(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N4O2/c1-2-3-15-11-7(13)4-8(14)12(17-11)18-5-9(19)16-10(20)6-18/h4H,2-3,5-6H2,1H3,(H,15,17)(H,16,19,20)
InChIKeyIXXMQKNOBOZALX-UHFFFAOYSA-N
MW317.18 g/mol
LogP1.67
Rot. Bonds4

About 4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]piperazine-2,6-dione

4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]piperazine-2,6-dione (PubChem CID 102758853) has the molecular formula C12H14Cl2N4O2 and a molecular weight of 317.18 g/mol. Its IUPAC name is 4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]piperazine-2,6-dione
PubChem CID102758853
Molecular FormulaC12H14Cl2N4O2
Molecular Weight317.18 g/mol
Exact Mass316.05
IUPAC Name4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]piperazine-2,6-dione
SMILESCCCNc1nc(N2CC(=O)NC(=O)C2)c(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N4O2/c1-2-3-15-11-7(13)4-8(14)12(17-11)18-5-9(19)16-10(20)6-18/h4H,2-3,5-6H2,1H3,(H,15,17)(H,16,19,20)
InChIKeyIXXMQKNOBOZALX-UHFFFAOYSA-N
XLogP1.67
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]piperazine-2,6-dione?
The IUPAC name of 4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]piperazine-2,6-dione (CID 102758853) is 4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]piperazine-2,6-dione?
The canonical SMILES for 4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]piperazine-2,6-dione is CCCNc1nc(N2CC(=O)NC(=O)C2)c(Cl)cc1Cl.
What is the InChIKey of 4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]piperazine-2,6-dione?
The InChIKey is IXXMQKNOBOZALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N4O2/c1-2-3-15-11-7(13)4-8(14)12(17-11)18-5-9(19)16-10(20)6-18/h4H,2-3,5-6H2,1H3,(H,15,17)(H,16,19,20).
What are the key properties of 4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]piperazine-2,6-dione?
4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]piperazine-2,6-dione has a molecular weight of 317.18 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]piperazine-2,6-dione is sourced from PubChem (CID 102758853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).