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

C11H13ClN4O — CID 79294938

IUPAC3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide
SMILESNC(=O)CCn1c(CCCl)nc2cccnc21
InChIInChI=1S/C11H13ClN4O/c12-5-3-10-15-8-2-1-6-14-11(8)16(10)7-4-9(13)17/h1-2,6H,3-5,7H2,(H2,13,17)
InChIKeyKKCWHSBFQGONIA-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.09
Rot. Bonds5

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

3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide (PubChem CID 79294938) has the molecular formula C11H13ClN4O and a molecular weight of 252.70 g/mol. Its IUPAC name is 3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide.

Molecular Properties

Compound Name3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide
PubChem CID79294938
Molecular FormulaC11H13ClN4O
Molecular Weight252.70 g/mol
Exact Mass252.08
IUPAC Name3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide
SMILESNC(=O)CCn1c(CCCl)nc2cccnc21
InChIInChI=1S/C11H13ClN4O/c12-5-3-10-15-8-2-1-6-14-11(8)16(10)7-4-9(13)17/h1-2,6H,3-5,7H2,(H2,13,17)
InChIKeyKKCWHSBFQGONIA-UHFFFAOYSA-N
XLogP1.09
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.09
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-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide
CID 79294885
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-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine
CID 79294900
3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 122485125
2-(2-chloroethyl)-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 79289197
2-(2-chloroethyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazo[4,5-b]pyridine
CID 80686493
2-(2-chloroethyl)-3-(3-cyclopentylpropyl)imidazo[4,5-b]pyridine
CID 106005281
2-(2-chloroethyl)-3-(2-cyclopentyloxyethyl)imidazo[4,5-b]pyridine
CID 79294752
2-(2-chloroethyl)-3-(cyclohexylmethyl)imidazo[4,5-b]pyridine
CID 79294577
3-[4-chloro-2-(2-chloroethyl)benzimidazol-1-yl]propanamide
CID 104837684
2-(2-chloroethyl)-3-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-b]pyridine
CID 79295045

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide?
The IUPAC name of 3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide (CID 79294938) is 3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide.
What is the SMILES notation for 3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide?
The canonical SMILES for 3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide is NC(=O)CCn1c(CCCl)nc2cccnc21.
What is the InChIKey of 3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide?
The InChIKey is KKCWHSBFQGONIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c12-5-3-10-15-8-2-1-6-14-11(8)16(10)7-4-9(13)17/h1-2,6H,3-5,7H2,(H2,13,17).
What are the key properties of 3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide?
3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide has a molecular weight of 252.70 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 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]propanamide is sourced from PubChem (CID 79294938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).