2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethylpropanamide

C13H17ClN4O — CID 79295243

IUPAC2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethylpropanamide
SMILESCCNC(=O)C(C)n1c(CCCl)nc2cccnc21
InChIInChI=1S/C13H17ClN4O/c1-3-15-13(19)9(2)18-11(6-7-14)17-10-5-4-8-16-12(10)18/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,19)
InChIKeyDBZQDWAXRKTJBA-UHFFFAOYSA-N
MW280.76 g/mol
LogP1.91
Rot. Bonds5

About 2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethylpropanamide

2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethylpropanamide (PubChem CID 79295243) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is 2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethylpropanamide
PubChem CID79295243
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethylpropanamide
SMILESCCNC(=O)C(C)n1c(CCCl)nc2cccnc21
InChIInChI=1S/C13H17ClN4O/c1-3-15-13(19)9(2)18-11(6-7-14)17-10-5-4-8-16-12(10)18/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,19)
InChIKeyDBZQDWAXRKTJBA-UHFFFAOYSA-N
XLogP1.91
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 51.91
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

2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethyl-N-methylpropanamide
CID 103112358
2-(2-chloroethyl)-3-(3-methylpentan-2-yl)imidazo[4,5-b]pyridine
CID 79294516
2-[2-(2-chloroethyl)-6-cyanobenzimidazol-1-yl]-N-ethylpropanamide
CID 104715559
2-(2-chloroethyl)-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine
CID 79294520
2-(2-chloroethyl)-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridine
CID 79273103
3-[1-(3-bromophenyl)ethyl]-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 79273400
2-(2-chloroethyl)-3-(4-propylphenyl)imidazo[4,5-b]pyridine
CID 79273871
2-[6-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-propylpropanamide
CID 115471248
2-[2-(chloromethyl)-5-iodobenzimidazol-1-yl]-N-ethylpropanamide
CID 66080655
2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide
CID 115322847
N-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]cyclohexanecarboxamide
CID 53143762
3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide
CID 79294938

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethylpropanamide?
The IUPAC name of 2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethylpropanamide (CID 79295243) is 2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethylpropanamide.
What is the SMILES notation for 2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethylpropanamide?
The canonical SMILES for 2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethylpropanamide is CCNC(=O)C(C)n1c(CCCl)nc2cccnc21.
What is the InChIKey of 2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethylpropanamide?
The InChIKey is DBZQDWAXRKTJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c1-3-15-13(19)9(2)18-11(6-7-14)17-10-5-4-8-16-12(10)18/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,19).
What are the key properties of 2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethylpropanamide?
2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethylpropanamide has a molecular weight of 280.76 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethylpropanamide is sourced from PubChem (CID 79295243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).