1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]piperidine-2,6-dione

C13H16ClN3O2 — CID 55127786

IUPAC1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]piperidine-2,6-dione
SMILESCCNc1ccc(Cl)c(CN2C(=O)CCCC2=O)n1
InChIInChI=1S/C13H16ClN3O2/c1-2-15-11-7-6-9(14)10(16-11)8-17-12(18)4-3-5-13(17)19/h6-7H,2-5,8H2,1H3,(H,15,16)
InChIKeyIPMSVYQRHNMTSH-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.21
Rot. Bonds4

About 1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]piperidine-2,6-dione

1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]piperidine-2,6-dione (PubChem CID 55127786) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]piperidine-2,6-dione
PubChem CID55127786
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]piperidine-2,6-dione
SMILESCCNc1ccc(Cl)c(CN2C(=O)CCCC2=O)n1
InChIInChI=1S/C13H16ClN3O2/c1-2-15-11-7-6-9(14)10(16-11)8-17-12(18)4-3-5-13(17)19/h6-7H,2-5,8H2,1H3,(H,15,16)
InChIKeyIPMSVYQRHNMTSH-UHFFFAOYSA-N
XLogP2.21
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]piperidine-2,6-dione?
The IUPAC name of 1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]piperidine-2,6-dione (CID 55127786) is 1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]piperidine-2,6-dione?
The canonical SMILES for 1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]piperidine-2,6-dione is CCNc1ccc(Cl)c(CN2C(=O)CCCC2=O)n1.
What is the InChIKey of 1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]piperidine-2,6-dione?
The InChIKey is IPMSVYQRHNMTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-2-15-11-7-6-9(14)10(16-11)8-17-12(18)4-3-5-13(17)19/h6-7H,2-5,8H2,1H3,(H,15,16).
What are the key properties of 1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]piperidine-2,6-dione?
1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]piperidine-2,6-dione has a molecular weight of 281.74 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]piperidine-2,6-dione is sourced from PubChem (CID 55127786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).