3,5-dibromo-N-(2-piperidin-3-ylethyl)pyridin-2-amine

C12H17Br2N3 — CID 113413746

IUPAC3,5-dibromo-N-(2-piperidin-3-ylethyl)pyridin-2-amine
SMILESBrc1cnc(NCCC2CCCNC2)c(Br)c1
InChIInChI=1S/C12H17Br2N3/c13-10-6-11(14)12(17-8-10)16-5-3-9-2-1-4-15-7-9/h6,8-9,15H,1-5,7H2,(H,16,17)
InChIKeyQBKQIBMDALBHHE-UHFFFAOYSA-N
MW363.10 g/mol
LogP3.41
Rot. Bonds4

About 3,5-dibromo-N-(2-piperidin-3-ylethyl)pyridin-2-amine

3,5-dibromo-N-(2-piperidin-3-ylethyl)pyridin-2-amine (PubChem CID 113413746) has the molecular formula C12H17Br2N3 and a molecular weight of 363.10 g/mol. Its IUPAC name is 3,5-dibromo-N-(2-piperidin-3-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dibromo-N-(2-piperidin-3-ylethyl)pyridin-2-amine
PubChem CID113413746
Molecular FormulaC12H17Br2N3
Molecular Weight363.10 g/mol
Exact Mass360.98
IUPAC Name3,5-dibromo-N-(2-piperidin-3-ylethyl)pyridin-2-amine
SMILESBrc1cnc(NCCC2CCCNC2)c(Br)c1
InChIInChI=1S/C12H17Br2N3/c13-10-6-11(14)12(17-8-10)16-5-3-9-2-1-4-15-7-9/h6,8-9,15H,1-5,7H2,(H,16,17)
InChIKeyQBKQIBMDALBHHE-UHFFFAOYSA-N
XLogP3.41
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.10
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,5-dibromo-N-(2-piperidin-3-ylethyl)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

Related Compounds

3-bromo-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 63629746
3,5-dibromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 104973107
3-bromo-N-(2-piperidin-3-ylethyl)pyridin-4-amine
CID 104777475
N-(2-piperidin-3-ylethyl)pyrimidin-2-amine
CID 63629890
5-methyl-N-(2-piperidin-3-ylethyl)pyrimidin-2-amine
CID 63630057
5-bromo-N-(2-cyclohexylethyl)-3-fluoropyridin-2-amine
CID 114046501
5-bromo-N-(2-cyclopentylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796000
3-(2-piperidin-3-ylethylamino)pyrazine-2-carbonitrile
CID 55247646
3-fluoro-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 63629585
5-bromo-3-chloro-2-(2-piperidin-3-ylethoxy)pyridine
CID 103583976
5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796001
3,5-dibromo-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridin-2-amine
CID 107488677

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(2-piperidin-3-ylethyl)pyridin-2-amine?
The IUPAC name of 3,5-dibromo-N-(2-piperidin-3-ylethyl)pyridin-2-amine (CID 113413746) is 3,5-dibromo-N-(2-piperidin-3-ylethyl)pyridin-2-amine.
What is the SMILES notation for 3,5-dibromo-N-(2-piperidin-3-ylethyl)pyridin-2-amine?
The canonical SMILES for 3,5-dibromo-N-(2-piperidin-3-ylethyl)pyridin-2-amine is Brc1cnc(NCCC2CCCNC2)c(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(2-piperidin-3-ylethyl)pyridin-2-amine?
The InChIKey is QBKQIBMDALBHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2N3/c13-10-6-11(14)12(17-8-10)16-5-3-9-2-1-4-15-7-9/h6,8-9,15H,1-5,7H2,(H,16,17).
What are the key properties of 3,5-dibromo-N-(2-piperidin-3-ylethyl)pyridin-2-amine?
3,5-dibromo-N-(2-piperidin-3-ylethyl)pyridin-2-amine has a molecular weight of 363.10 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(2-piperidin-3-ylethyl)pyridin-2-amine is sourced from PubChem (CID 113413746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).