3-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione

C14H15ClN4O2 — CID 79278746

IUPAC3-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione
SMILESCc1cnc2c(c1)nc(CCCl)n2C1CCC(=O)NC1=O
InChIInChI=1S/C14H15ClN4O2/c1-8-6-9-13(16-7-8)19(11(17-9)4-5-15)10-2-3-12(20)18-14(10)21/h6-7,10H,2-5H2,1H3,(H,18,20,21)
InChIKeyIRWHCGMYLZXZMT-UHFFFAOYSA-N
MW306.75 g/mol
LogP1.50
Rot. Bonds3

About 3-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione

3-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione (PubChem CID 79278746) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 3-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione
PubChem CID79278746
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name3-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione
SMILESCc1cnc2c(c1)nc(CCCl)n2C1CCC(=O)NC1=O
InChIInChI=1S/C14H15ClN4O2/c1-8-6-9-13(16-7-8)19(11(17-9)4-5-15)10-2-3-12(20)18-14(10)21/h6-7,10H,2-5H2,1H3,(H,18,20,21)
InChIKeyIRWHCGMYLZXZMT-UHFFFAOYSA-N
XLogP1.50
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.50
H-Bond Donors ≤ 51
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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Related Compounds

2-(2-chloroethyl)-3-(4,4-dimethylcyclohexyl)-6-methylimidazo[4,5-b]pyridine
CID 79278559
3-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]thiane 1,1-dioxide
CID 79278182
3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione
CID 79279739
2-(2-chloroethyl)-6-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridine
CID 113485709
2-(2-chloroethyl)-6-methyl-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 79278922
6-bromo-2-(2-chloroethyl)-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine
CID 79363129
2-(2-chloroethyl)-6-methyl-3-pentan-3-ylimidazo[4,5-b]pyridine
CID 79301559
3-butan-2-yl-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79301558
2-(chloromethyl)-3-(cyclopropylmethyl)-6-methylimidazo[4,5-b]pyridine
CID 79301845
2-(2-chloroethyl)-3-(2,2-dimethylbutyl)-6-methylimidazo[4,5-b]pyridine
CID 103463014
2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-propylacetamide
CID 79301647
5-[2-(2-chloroethyl)-5-methylbenzimidazol-1-yl]-1-methylpiperidin-2-one
CID 64667815

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione (CID 79278746) is 3-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione is Cc1cnc2c(c1)nc(CCCl)n2C1CCC(=O)NC1=O.
What is the InChIKey of 3-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione?
The InChIKey is IRWHCGMYLZXZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-8-6-9-13(16-7-8)19(11(17-9)4-5-15)10-2-3-12(20)18-14(10)21/h6-7,10H,2-5H2,1H3,(H,18,20,21).
What are the key properties of 3-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione?
3-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione has a molecular weight of 306.75 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 79278746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).