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

C13H17ClN4O — CID 79294885

IUPAC3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCn1c(CCCl)nc2cccnc21
InChIInChI=1S/C13H17ClN4O/c1-17(2)12(19)6-9-18-11(5-7-14)16-10-4-3-8-15-13(10)18/h3-4,8H,5-7,9H2,1-2H3
InChIKeySKNGNMKEHOUNQC-UHFFFAOYSA-N
MW280.76 g/mol
LogP1.69
Rot. Bonds5

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

3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide (PubChem CID 79294885) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is 3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide
PubChem CID79294885
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCn1c(CCCl)nc2cccnc21
InChIInChI=1S/C13H17ClN4O/c1-17(2)12(19)6-9-18-11(5-7-14)16-10-4-3-8-15-13(10)18/h3-4,8H,5-7,9H2,1-2H3
InChIKeySKNGNMKEHOUNQC-UHFFFAOYSA-N
XLogP1.69
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide
CID 79294938
2-(2-chloroethyl)-3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine
CID 79294900
2-(2-chloroethyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
CID 79294892
2-(2-chloroethyl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-b]pyridine
CID 106431903
2-(2-chloroethyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazo[4,5-b]pyridine
CID 80686493
2-(2-chloroethyl)-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 79289197
2-(2-chloroethyl)-3-(cyclohexylmethyl)imidazo[4,5-b]pyridine
CID 79294577
2-(2-chloroethyl)-3-(3-cyclopentylpropyl)imidazo[4,5-b]pyridine
CID 106005281
2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethyl-N-methylpropanamide
CID 103112358
2-(2-chloroethyl)-3-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-b]pyridine
CID 79295045
4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanoic acid
CID 20955384
2-(2-chloroethyl)-3-(2-cyclopentyloxyethyl)imidazo[4,5-b]pyridine
CID 79294752

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide (CID 79294885) is 3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide is CN(C)C(=O)CCn1c(CCCl)nc2cccnc21.
What is the InChIKey of 3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide?
The InChIKey is SKNGNMKEHOUNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c1-17(2)12(19)6-9-18-11(5-7-14)16-10-4-3-8-15-13(10)18/h3-4,8H,5-7,9H2,1-2H3.
What are the key properties of 3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide?
3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide has a molecular weight of 280.76 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 79294885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).