2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-propylacetamide

C13H17ClN4O2 — CID 115322756

IUPAC2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c(CCl)nc2ccc(OC)nc21
InChIInChI=1S/C13H17ClN4O2/c1-3-6-15-11(19)8-18-10(7-14)16-9-4-5-12(20-2)17-13(9)18/h4-5H,3,6-8H2,1-2H3,(H,15,19)
InChIKeyJNAPMTFHFVYNOL-UHFFFAOYSA-N
MW296.76 g/mol
LogP1.70
Rot. Bonds6

About 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-propylacetamide

2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-propylacetamide (PubChem CID 115322756) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-propylacetamide
PubChem CID115322756
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c(CCl)nc2ccc(OC)nc21
InChIInChI=1S/C13H17ClN4O2/c1-3-6-15-11(19)8-18-10(7-14)16-9-4-5-12(20-2)17-13(9)18/h4-5H,3,6-8H2,1-2H3,(H,15,19)
InChIKeyJNAPMTFHFVYNOL-UHFFFAOYSA-N
XLogP1.70
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]acetamide
CID 115322521
2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide
CID 115322847
2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-propylacetamide
CID 43661209
2-[6-bromo-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-N-propylacetamide
CID 79302461
ethyl 4-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]butanoate
CID 115323105
2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-propylacetamide
CID 79301647
2-[2-(chloromethyl)-6-fluoro-5-iodobenzimidazol-1-yl]-N-propylacetamide
CID 66095691
2-[5-bromo-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-N-propylacetamide
CID 66086529
2-[2-(2-chloroethyl)-6,7-difluorobenzimidazol-1-yl]-N-propylacetamide
CID 62533721
2-(chloromethyl)-5-methoxy-3-(4-propan-2-yloxybutyl)imidazo[4,5-b]pyridine
CID 106005161
2-(chloromethyl)-5-methoxy-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine
CID 114109023
2-(chloromethyl)-3-[(2-chlorophenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine
CID 115322536

Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-propylacetamide?
The IUPAC name of 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-propylacetamide (CID 115322756) is 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-propylacetamide.
What is the SMILES notation for 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-propylacetamide?
The canonical SMILES for 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-propylacetamide is CCCNC(=O)Cn1c(CCl)nc2ccc(OC)nc21.
What is the InChIKey of 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-propylacetamide?
The InChIKey is JNAPMTFHFVYNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2/c1-3-6-15-11(19)8-18-10(7-14)16-9-4-5-12(20-2)17-13(9)18/h4-5H,3,6-8H2,1-2H3,(H,15,19).
What are the key properties of 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-propylacetamide?
2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-propylacetamide has a molecular weight of 296.76 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-propylacetamide is sourced from PubChem (CID 115322756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).