2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide

C12H15ClN4O — CID 79293507

IUPAC2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide
SMILESCc1ccnc2c1nc(CCl)n2CC(=O)N(C)C
InChIInChI=1S/C12H15ClN4O/c1-8-4-5-14-12-11(8)15-9(6-13)17(12)7-10(18)16(2)3/h4-5H,6-7H2,1-3H3
InChIKeyOOGABMGKIPAVPD-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.57
Rot. Bonds3

About 2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide

2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide (PubChem CID 79293507) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide
PubChem CID79293507
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide
SMILESCc1ccnc2c1nc(CCl)n2CC(=O)N(C)C
InChIInChI=1S/C12H15ClN4O/c1-8-4-5-14-12-11(8)15-9(6-13)17(12)7-10(18)16(2)3/h4-5H,6-7H2,1-3H3
InChIKeyOOGABMGKIPAVPD-UHFFFAOYSA-N
XLogP1.57
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.57
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 2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide (CID 79293507) is 2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide is Cc1ccnc2c1nc(CCl)n2CC(=O)N(C)C.
What is the InChIKey of 2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide?
The InChIKey is OOGABMGKIPAVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-8-4-5-14-12-11(8)15-9(6-13)17(12)7-10(18)16(2)3/h4-5H,6-7H2,1-3H3.
What are the key properties of 2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide?
2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide has a molecular weight of 266.73 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 79293507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).