6-bromo-4-chloro-2-ethyl-3-methylimidazo[4,5-c]pyridine;N-[6-bromo-2-chloro-3-(methylamino)-4-pyridinyl]propanamide

C18H20Br2Cl2N6O — CID 157133569

IUPAC6-bromo-4-chloro-2-ethyl-3-methylimidazo[4,5-c]pyridine;N-[6-bromo-2-chloro-3-(methylamino)-4-pyridinyl]propanamide
SMILESCCC(=O)Nc1cc(Br)nc(Cl)c1NC.CCc1nc2cc(Br)nc(Cl)c2n1C
InChIInChI=1S/C9H11BrClN3O.C9H9BrClN3/c1-3-7(15)13-5-4-6(10)14-9(11)8(5)12-2;1-3-7-12-5-4-6(10)13-9(11)8(5)14(7)2/h4,12H,3H2,1-2H3,(H,13,14,15);4H,3H2,1-2H3
InChIKeyAJIVSNJSOWEKOA-UHFFFAOYSA-N
MW567.11 g/mol
LogP5.83
Rot. Bonds4

About 6-bromo-4-chloro-2-ethyl-3-methylimidazo[4,5-c]pyridine;N-[6-bromo-2-chloro-3-(methylamino)-4-pyridinyl]propanamide

6-bromo-4-chloro-2-ethyl-3-methylimidazo[4,5-c]pyridine;N-[6-bromo-2-chloro-3-(methylamino)-4-pyridinyl]propanamide (PubChem CID 157133569) has the molecular formula C18H20Br2Cl2N6O and a molecular weight of 567.11 g/mol. Its IUPAC name is 6-bromo-4-chloro-2-ethyl-3-methylimidazo[4,5-c]pyridine;N-[6-bromo-2-chloro-3-(methylamino)-4-pyridinyl]propanamide.

Molecular Properties

Compound Name6-bromo-4-chloro-2-ethyl-3-methylimidazo[4,5-c]pyridine;N-[6-bromo-2-chloro-3-(methylamino)-4-pyridinyl]propanamide
PubChem CID157133569
Molecular FormulaC18H20Br2Cl2N6O
Molecular Weight567.11 g/mol
Exact Mass563.94
IUPAC Name6-bromo-4-chloro-2-ethyl-3-methylimidazo[4,5-c]pyridine;N-[6-bromo-2-chloro-3-(methylamino)-4-pyridinyl]propanamide
SMILESCCC(=O)Nc1cc(Br)nc(Cl)c1NC.CCc1nc2cc(Br)nc(Cl)c2n1C
InChIInChI=1S/C9H11BrClN3O.C9H9BrClN3/c1-3-7(15)13-5-4-6(10)14-9(11)8(5)12-2;1-3-7-12-5-4-6(10)13-9(11)8(5)14(7)2/h4,12H,3H2,1-2H3,(H,13,14,15);4H,3H2,1-2H3
InChIKeyAJIVSNJSOWEKOA-UHFFFAOYSA-N
XLogP5.83
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.11
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-2-ethyl-3-methylimidazo[4,5-c]pyridine;N-[6-bromo-2-chloro-3-(methylamino)-4-pyridinyl]propanamide?
The IUPAC name of 6-bromo-4-chloro-2-ethyl-3-methylimidazo[4,5-c]pyridine;N-[6-bromo-2-chloro-3-(methylamino)-4-pyridinyl]propanamide (CID 157133569) is 6-bromo-4-chloro-2-ethyl-3-methylimidazo[4,5-c]pyridine;N-[6-bromo-2-chloro-3-(methylamino)-4-pyridinyl]propanamide.
What is the SMILES notation for 6-bromo-4-chloro-2-ethyl-3-methylimidazo[4,5-c]pyridine;N-[6-bromo-2-chloro-3-(methylamino)-4-pyridinyl]propanamide?
The canonical SMILES for 6-bromo-4-chloro-2-ethyl-3-methylimidazo[4,5-c]pyridine;N-[6-bromo-2-chloro-3-(methylamino)-4-pyridinyl]propanamide is CCC(=O)Nc1cc(Br)nc(Cl)c1NC.CCc1nc2cc(Br)nc(Cl)c2n1C.
What is the InChIKey of 6-bromo-4-chloro-2-ethyl-3-methylimidazo[4,5-c]pyridine;N-[6-bromo-2-chloro-3-(methylamino)-4-pyridinyl]propanamide?
The InChIKey is AJIVSNJSOWEKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClN3O.C9H9BrClN3/c1-3-7(15)13-5-4-6(10)14-9(11)8(5)12-2;1-3-7-12-5-4-6(10)13-9(11)8(5)14(7)2/h4,12H,3H2,1-2H3,(H,13,14,15);4H,3H2,1-2H3.
What are the key properties of 6-bromo-4-chloro-2-ethyl-3-methylimidazo[4,5-c]pyridine;N-[6-bromo-2-chloro-3-(methylamino)-4-pyridinyl]propanamide?
6-bromo-4-chloro-2-ethyl-3-methylimidazo[4,5-c]pyridine;N-[6-bromo-2-chloro-3-(methylamino)-4-pyridinyl]propanamide has a molecular weight of 567.11 g/mol, XLogP of 5.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-2-ethyl-3-methylimidazo[4,5-c]pyridine;N-[6-bromo-2-chloro-3-(methylamino)-4-pyridinyl]propanamide is sourced from PubChem (CID 157133569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).