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

C12H14BrClN4O — CID 79302117

IUPAC3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide
SMILESCNC(=O)CCn1c(C(C)Cl)nc2cc(Br)cnc21
InChIInChI=1S/C12H14BrClN4O/c1-7(14)11-17-9-5-8(13)6-16-12(9)18(11)4-3-10(19)15-2/h5-7H,3-4H2,1-2H3,(H,15,19)
InChIKeyPUGOTLJGDGZBCW-UHFFFAOYSA-N
MW345.63 g/mol
LogP2.63
Rot. Bonds4

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

3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide (PubChem CID 79302117) has the molecular formula C12H14BrClN4O and a molecular weight of 345.63 g/mol. Its IUPAC name is 3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide
PubChem CID79302117
Molecular FormulaC12H14BrClN4O
Molecular Weight345.63 g/mol
Exact Mass344.00
IUPAC Name3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide
SMILESCNC(=O)CCn1c(C(C)Cl)nc2cc(Br)cnc21
InChIInChI=1S/C12H14BrClN4O/c1-7(14)11-17-9-5-8(13)6-16-12(9)18(11)4-3-10(19)15-2/h5-7H,3-4H2,1-2H3,(H,15,19)
InChIKeyPUGOTLJGDGZBCW-UHFFFAOYSA-N
XLogP2.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.63
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide?
The IUPAC name of 3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide (CID 79302117) is 3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide?
The canonical SMILES for 3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide is CNC(=O)CCn1c(C(C)Cl)nc2cc(Br)cnc21.
What is the InChIKey of 3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide?
The InChIKey is PUGOTLJGDGZBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN4O/c1-7(14)11-17-9-5-8(13)6-16-12(9)18(11)4-3-10(19)15-2/h5-7H,3-4H2,1-2H3,(H,15,19).
What are the key properties of 3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide?
3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide has a molecular weight of 345.63 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide is sourced from PubChem (CID 79302117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).