2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide

C13H17ClN4O — CID 79301723

IUPAC2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)n1c(C(C)Cl)nc2cc(C)cnc21
InChIInChI=1S/C13H17ClN4O/c1-7-5-10-12(16-6-7)18(9(3)13(19)15-4)11(17-10)8(2)14/h5-6,8-9H,1-4H3,(H,15,19)
InChIKeyUMSYILTWOBUJDN-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.35
Rot. Bonds3

About 2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide

2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide (PubChem CID 79301723) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is 2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide.

Molecular Properties

Compound Name2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide
PubChem CID79301723
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)n1c(C(C)Cl)nc2cc(C)cnc21
InChIInChI=1S/C13H17ClN4O/c1-7-5-10-12(16-6-7)18(9(3)13(19)15-4)11(17-10)8(2)14/h5-6,8-9H,1-4H3,(H,15,19)
InChIKeyUMSYILTWOBUJDN-UHFFFAOYSA-N
XLogP2.35
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.35
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

methyl 2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-3-methylbutanoate
CID 79278721
2-[2-(1-chloroethyl)-5-fluoro-6-methylbenzimidazol-1-yl]-N-methylpropanamide
CID 103593496
2-[1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,3-thiazole
CID 79306151
2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide
CID 79300800
2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]-N-methylpropanamide
CID 61467682
2-(1-chloroethyl)-3-(3-fluoro-5-methylphenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279306
2-(1-chloroethyl)-3-(3,4-dichlorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279268
methyl 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoate
CID 79301226
2-(1-chloroethyl)-3-[1-(furan-2-yl)propan-2-yl]-6-methylimidazo[4,5-b]pyridine
CID 79279836
2-[2-(1-chloroethyl)-5-methylbenzimidazol-1-yl]-N-propylpropanamide
CID 61478328
2-[6-methyl-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
CID 82061458
3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide
CID 79302117

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide?
The IUPAC name of 2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide (CID 79301723) is 2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide.
What is the SMILES notation for 2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide?
The canonical SMILES for 2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide is CNC(=O)C(C)n1c(C(C)Cl)nc2cc(C)cnc21.
What is the InChIKey of 2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide?
The InChIKey is UMSYILTWOBUJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c1-7-5-10-12(16-6-7)18(9(3)13(19)15-4)11(17-10)8(2)14/h5-6,8-9H,1-4H3,(H,15,19).
What are the key properties of 2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide?
2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide has a molecular weight of 280.76 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide is sourced from PubChem (CID 79301723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).