2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanamide

C12H15ClN4O — CID 79301792

IUPAC2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanamide
SMILESCc1cnc2c(c1)nc(CCCl)n2C(C)C(N)=O
InChIInChI=1S/C12H15ClN4O/c1-7-5-9-12(15-6-7)17(8(2)11(14)18)10(16-9)3-4-13/h5-6,8H,3-4H2,1-2H3,(H2,14,18)
InChIKeyHUAMXJNHHOJEKK-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.57
Rot. Bonds4

About 2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanamide

2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanamide (PubChem CID 79301792) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanamide.

Molecular Properties

Compound Name2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanamide
PubChem CID79301792
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanamide
SMILESCc1cnc2c(c1)nc(CCCl)n2C(C)C(N)=O
InChIInChI=1S/C12H15ClN4O/c1-7-5-9-12(15-6-7)17(8(2)11(14)18)10(16-9)3-4-13/h5-6,8H,3-4H2,1-2H3,(H2,14,18)
InChIKeyHUAMXJNHHOJEKK-UHFFFAOYSA-N
XLogP1.57
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.57
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-chloroethyl)-6-methyl-3-(3-methylbutan-2-yl)imidazo[4,5-b]pyridine
CID 79300995
3-butan-2-yl-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79301558
2-(2-chloroethyl)-6-methyl-3-pentan-3-ylimidazo[4,5-b]pyridine
CID 79301559
methyl 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoate
CID 79301226
2-[6-methyl-2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
CID 82061452
2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide
CID 79300800
2-[7-chloro-2-(2-chloroethyl)benzimidazol-1-yl]propanamide
CID 43667658
2-(2-chloroethyl)-6-methyl-3-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-b]pyridine
CID 79306884
2-[2-(2-chloroethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propanamide
CID 115502224
2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-propylacetamide
CID 79301647
2-(chloromethyl)-3-(3-ethylpentan-2-yl)-6-methylimidazo[4,5-b]pyridine
CID 79306291
2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl carbamate
CID 83205092

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanamide?
The IUPAC name of 2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanamide (CID 79301792) is 2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanamide.
What is the SMILES notation for 2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanamide?
The canonical SMILES for 2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanamide is Cc1cnc2c(c1)nc(CCCl)n2C(C)C(N)=O.
What is the InChIKey of 2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanamide?
The InChIKey is HUAMXJNHHOJEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-7-5-9-12(15-6-7)17(8(2)11(14)18)10(16-9)3-4-13/h5-6,8H,3-4H2,1-2H3,(H2,14,18).
What are the key properties of 2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanamide?
2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanamide has a molecular weight of 266.73 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanamide is sourced from PubChem (CID 79301792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).