5-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-1-methylpiperidin-2-one

C15H19ClN4O — CID 79279303

IUPAC5-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-1-methylpiperidin-2-one
SMILESCc1cnc2c(c1)nc(CCCl)n2C1CCC(=O)N(C)C1
InChIInChI=1S/C15H19ClN4O/c1-10-7-12-15(17-8-10)20(13(18-12)5-6-16)11-3-4-14(21)19(2)9-11/h7-8,11H,3-6,9H2,1-2H3
InChIKeyLONYIDYNYIGRFY-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.31
Rot. Bonds3

About 5-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-1-methylpiperidin-2-one

5-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-1-methylpiperidin-2-one (PubChem CID 79279303) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 5-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-1-methylpiperidin-2-one
PubChem CID79279303
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name5-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-1-methylpiperidin-2-one
SMILESCc1cnc2c(c1)nc(CCCl)n2C1CCC(=O)N(C)C1
InChIInChI=1S/C15H19ClN4O/c1-10-7-12-15(17-8-10)20(13(18-12)5-6-16)11-3-4-14(21)19(2)9-11/h7-8,11H,3-6,9H2,1-2H3
InChIKeyLONYIDYNYIGRFY-UHFFFAOYSA-N
XLogP2.31
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-1-methylpiperidin-2-one?
The IUPAC name of 5-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-1-methylpiperidin-2-one (CID 79279303) is 5-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-1-methylpiperidin-2-one is Cc1cnc2c(c1)nc(CCCl)n2C1CCC(=O)N(C)C1.
What is the InChIKey of 5-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-1-methylpiperidin-2-one?
The InChIKey is LONYIDYNYIGRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-10-7-12-15(17-8-10)20(13(18-12)5-6-16)11-3-4-14(21)19(2)9-11/h7-8,11H,3-6,9H2,1-2H3.
What are the key properties of 5-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-1-methylpiperidin-2-one?
5-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-1-methylpiperidin-2-one has a molecular weight of 306.80 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-1-methylpiperidin-2-one is sourced from PubChem (CID 79279303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).