6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine

C12H18BrN3 — CID 58997382

IUPAC6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine
SMILESCN1CCC(N(C)c2cccc(Br)n2)CC1
InChIInChI=1S/C12H18BrN3/c1-15-8-6-10(7-9-15)16(2)12-5-3-4-11(13)14-12/h3-5,10H,6-9H2,1-2H3
InChIKeyDQJMZGTXXSXGBY-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.37
Rot. Bonds2

About 6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine

6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine (PubChem CID 58997382) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine
PubChem CID58997382
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine
SMILESCN1CCC(N(C)c2cccc(Br)n2)CC1
InChIInChI=1S/C12H18BrN3/c1-15-8-6-10(7-9-15)16(2)12-5-3-4-11(13)14-12/h3-5,10H,6-9H2,1-2H3
InChIKeyDQJMZGTXXSXGBY-UHFFFAOYSA-N
XLogP2.37
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine 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 6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine?
The IUPAC name of 6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine (CID 58997382) is 6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine?
The canonical SMILES for 6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine is CN1CCC(N(C)c2cccc(Br)n2)CC1.
What is the InChIKey of 6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine?
The InChIKey is DQJMZGTXXSXGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-15-8-6-10(7-9-15)16(2)12-5-3-4-11(13)14-12/h3-5,10H,6-9H2,1-2H3.
What are the key properties of 6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine?
6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine has a molecular weight of 284.20 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine is sourced from PubChem (CID 58997382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).