3-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpiperidine-2,6-dione

C13H13ClN4O2 — CID 79294258

IUPAC3-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(n2c(CCl)nc3cccnc32)C1=O
InChIInChI=1S/C13H13ClN4O2/c1-17-11(19)5-4-9(13(17)20)18-10(7-14)16-8-3-2-6-15-12(8)18/h2-3,6,9H,4-5,7H2,1H3
InChIKeyMQUBOEHXEFBFDU-UHFFFAOYSA-N
MW292.73 g/mol
LogP1.49
Rot. Bonds2

About 3-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpiperidine-2,6-dione

3-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpiperidine-2,6-dione (PubChem CID 79294258) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 3-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpiperidine-2,6-dione
PubChem CID79294258
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name3-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(n2c(CCl)nc3cccnc32)C1=O
InChIInChI=1S/C13H13ClN4O2/c1-17-11(19)5-4-9(13(17)20)18-10(7-14)16-8-3-2-6-15-12(8)18/h2-3,6,9H,4-5,7H2,1H3
InChIKeyMQUBOEHXEFBFDU-UHFFFAOYSA-N
XLogP1.49
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpiperidine-2,6-dione (CID 79294258) is 3-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpiperidine-2,6-dione is CN1C(=O)CCC(n2c(CCl)nc3cccnc32)C1=O.
What is the InChIKey of 3-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpiperidine-2,6-dione?
The InChIKey is MQUBOEHXEFBFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c1-17-11(19)5-4-9(13(17)20)18-10(7-14)16-8-3-2-6-15-12(8)18/h2-3,6,9H,4-5,7H2,1H3.
What are the key properties of 3-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpiperidine-2,6-dione?
3-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpiperidine-2,6-dione has a molecular weight of 292.73 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 79294258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).