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

C14H19ClN4O2 — CID 115322847

IUPAC2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1c(CCl)nc2ccc(OC)nc21
InChIInChI=1S/C14H19ClN4O2/c1-4-7-16-14(20)9(2)19-11(8-15)17-10-5-6-12(21-3)18-13(10)19/h5-6,9H,4,7-8H2,1-3H3,(H,16,20)
InChIKeyDCOCWFPUSKWKGH-UHFFFAOYSA-N
MW310.79 g/mol
LogP2.27
Rot. Bonds6

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

2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide (PubChem CID 115322847) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide.

Molecular Properties

Compound Name2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide
PubChem CID115322847
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1c(CCl)nc2ccc(OC)nc21
InChIInChI=1S/C14H19ClN4O2/c1-4-7-16-14(20)9(2)19-11(8-15)17-10-5-6-12(21-3)18-13(10)19/h5-6,9H,4,7-8H2,1-3H3,(H,16,20)
InChIKeyDCOCWFPUSKWKGH-UHFFFAOYSA-N
XLogP2.27
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 52.27
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]-N-propylacetamide
CID 115322756
2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide
CID 79300800
2-(chloromethyl)-3-hexan-2-yl-5-methoxyimidazo[4,5-b]pyridine
CID 115322969
2-[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]-N-propylpropanamide
CID 62533911
2-(chloromethyl)-5-methoxy-3-(1-methylsulfonylpropan-2-yl)imidazo[4,5-b]pyridine
CID 115323110
2-(2-amino-5-methoxyimidazo[4,5-b]pyridin-3-yl)-N-methylpropanamide
CID 113286854
2-[6-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-propylpropanamide
CID 115471248
2-(chloromethyl)-3-(dicyclopropylmethyl)-5-methoxyimidazo[4,5-b]pyridine
CID 115322851
2-(chloromethyl)-5-methoxy-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-b]pyridine
CID 115322835
2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]acetamide
CID 115322521
2-[2-(chloromethyl)-5-iodobenzimidazol-1-yl]-N-ethylpropanamide
CID 66080655
2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethylpropanamide
CID 79295243

Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide?
The IUPAC name of 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide (CID 115322847) is 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide.
What is the SMILES notation for 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide?
The canonical SMILES for 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide is CCCNC(=O)C(C)n1c(CCl)nc2ccc(OC)nc21.
What is the InChIKey of 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide?
The InChIKey is DCOCWFPUSKWKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c1-4-7-16-14(20)9(2)19-11(8-15)17-10-5-6-12(21-3)18-13(10)19/h5-6,9H,4,7-8H2,1-3H3,(H,16,20).
What are the key properties of 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide?
2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide has a molecular weight of 310.79 g/mol, XLogP of 2.27, 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-propylpropanamide is sourced from PubChem (CID 115322847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).