4-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-cyclopropylbutanamide

C15H19ClN4O — CID 79379611

IUPAC4-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-cyclopropylbutanamide
SMILESCc1cnc2c(c1)nc(CCl)n2CCCC(=O)NC1CC1
InChIInChI=1S/C15H19ClN4O/c1-10-7-12-15(17-9-10)20(13(8-16)19-12)6-2-3-14(21)18-11-4-5-11/h7,9,11H,2-6,8H2,1H3,(H,18,21)
InChIKeyXLWMQQSOYWWTAR-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.54
Rot. Bonds6

About 4-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-cyclopropylbutanamide

4-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-cyclopropylbutanamide (PubChem CID 79379611) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 4-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-cyclopropylbutanamide
PubChem CID79379611
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name4-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-cyclopropylbutanamide
SMILESCc1cnc2c(c1)nc(CCl)n2CCCC(=O)NC1CC1
InChIInChI=1S/C15H19ClN4O/c1-10-7-12-15(17-9-10)20(13(8-16)19-12)6-2-3-14(21)18-11-4-5-11/h7,9,11H,2-6,8H2,1H3,(H,18,21)
InChIKeyXLWMQQSOYWWTAR-UHFFFAOYSA-N
XLogP2.54
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.54
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-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethylurea
CID 83114579
2-(2-amino-6-methylimidazo[4,5-b]pyridin-3-yl)-N-cyclopropylacetamide
CID 79301757
4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butanoic acid
CID 82070609
2-(chloromethyl)-3-(cyclopropylmethyl)-6-methylimidazo[4,5-b]pyridine
CID 79301845
2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl carbamate
CID 83205092
3-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]-N-cyclopropylpropanamide
CID 103593840
2-(chloromethyl)-3-(2-cyclopentyloxyethyl)-6-methylimidazo[4,5-b]pyridine
CID 79305999
2-(chloromethyl)-3-(2,2-dimethylpropyl)-6-methylimidazo[4,5-b]pyridine
CID 79301222
3-[5-bromo-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-N-cyclopropylpropanamide
CID 79377835
3-(2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061501
2-(chloromethyl)-6-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 79301434
3-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoic acid
CID 93209597

Frequently Asked Questions

What is the IUPAC name of 4-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-cyclopropylbutanamide?
The IUPAC name of 4-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-cyclopropylbutanamide (CID 79379611) is 4-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-cyclopropylbutanamide is Cc1cnc2c(c1)nc(CCl)n2CCCC(=O)NC1CC1.
What is the InChIKey of 4-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-cyclopropylbutanamide?
The InChIKey is XLWMQQSOYWWTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-10-7-12-15(17-9-10)20(13(8-16)19-12)6-2-3-14(21)18-11-4-5-11/h7,9,11H,2-6,8H2,1H3,(H,18,21).
What are the key properties of 4-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-cyclopropylbutanamide?
4-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-cyclopropylbutanamide has a molecular weight of 306.80 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-cyclopropylbutanamide is sourced from PubChem (CID 79379611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).