2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]acetamide

C11H13ClN4O — CID 79293274

IUPAC2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]acetamide
SMILESCc1ccnc2c1nc(C(C)Cl)n2CC(N)=O
InChIInChI=1S/C11H13ClN4O/c1-6-3-4-14-11-9(6)15-10(7(2)12)16(11)5-8(13)17/h3-4,7H,5H2,1-2H3,(H2,13,17)
InChIKeyACGSTIXVEVGPCQ-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.52
Rot. Bonds3

About 2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]acetamide

2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]acetamide (PubChem CID 79293274) has the molecular formula C11H13ClN4O and a molecular weight of 252.71 g/mol. Its IUPAC name is 2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]acetamide.

Molecular Properties

Compound Name2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]acetamide
PubChem CID79293274
Molecular FormulaC11H13ClN4O
Molecular Weight252.71 g/mol
Exact Mass252.08
IUPAC Name2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]acetamide
SMILESCc1ccnc2c1nc(C(C)Cl)n2CC(N)=O
InChIInChI=1S/C11H13ClN4O/c1-6-3-4-14-11-9(6)15-10(7(2)12)16(11)5-8(13)17/h3-4,7H,5H2,1-2H3,(H2,13,17)
InChIKeyACGSTIXVEVGPCQ-UHFFFAOYSA-N
XLogP1.52
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-3-methylbutanamide
CID 106097658
2-(1-chloroethyl)-3-(2-methoxyethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293719
2-(1-chloroethyl)-3-(2-methoxy-2-methylpropyl)-7-methylimidazo[4,5-b]pyridine
CID 104763448
4-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]morpholine
CID 79276323
2-(1-chloroethyl)-3-(cyclohexylmethyl)-7-methylimidazo[4,5-b]pyridine
CID 79294089
2-(1-chloroethyl)-7-methyl-3-(2-pyridin-2-ylethyl)imidazo[4,5-b]pyridine
CID 79275874
N-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylbutan-2-amine
CID 106004828
2-(1-chloroethyl)-3-(4-iodophenyl)-7-methylimidazo[4,5-b]pyridine
CID 79293501
5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole
CID 106407149
5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 106420358
2-(1-chloroethyl)-7-methyl-3-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 79277491
3-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole
CID 106407354

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]acetamide?
The IUPAC name of 2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]acetamide (CID 79293274) is 2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]acetamide.
What is the SMILES notation for 2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]acetamide?
The canonical SMILES for 2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]acetamide is Cc1ccnc2c1nc(C(C)Cl)n2CC(N)=O.
What is the InChIKey of 2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]acetamide?
The InChIKey is ACGSTIXVEVGPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-6-3-4-14-11-9(6)15-10(7(2)12)16(11)5-8(13)17/h3-4,7H,5H2,1-2H3,(H2,13,17).
What are the key properties of 2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]acetamide?
2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]acetamide has a molecular weight of 252.71 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]acetamide is sourced from PubChem (CID 79293274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).