3-bromo-2-N-(2-piperidin-1-ylethyl)pyridine-2,5-diamine

C12H19BrN4 — CID 79531632

IUPAC3-bromo-2-N-(2-piperidin-1-ylethyl)pyridine-2,5-diamine
SMILESNc1cnc(NCCN2CCCCC2)c(Br)c1
InChIInChI=1S/C12H19BrN4/c13-11-8-10(14)9-16-12(11)15-4-7-17-5-2-1-3-6-17/h8-9H,1-7,14H2,(H,15,16)
InChIKeyFTMBVJQVWCICAS-UHFFFAOYSA-N
MW299.22 g/mol
LogP2.32
Rot. Bonds4

About 3-bromo-2-N-(2-piperidin-1-ylethyl)pyridine-2,5-diamine

3-bromo-2-N-(2-piperidin-1-ylethyl)pyridine-2,5-diamine (PubChem CID 79531632) has the molecular formula C12H19BrN4 and a molecular weight of 299.22 g/mol. Its IUPAC name is 3-bromo-2-N-(2-piperidin-1-ylethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-(2-piperidin-1-ylethyl)pyridine-2,5-diamine
PubChem CID79531632
Molecular FormulaC12H19BrN4
Molecular Weight299.22 g/mol
Exact Mass298.08
IUPAC Name3-bromo-2-N-(2-piperidin-1-ylethyl)pyridine-2,5-diamine
SMILESNc1cnc(NCCN2CCCCC2)c(Br)c1
InChIInChI=1S/C12H19BrN4/c13-11-8-10(14)9-16-12(11)15-4-7-17-5-2-1-3-6-17/h8-9H,1-7,14H2,(H,15,16)
InChIKeyFTMBVJQVWCICAS-UHFFFAOYSA-N
XLogP2.32
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-bromo-2-N-(2-piperidin-1-ylethyl)pyridine-2,5-diamine 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

1-(2-Pyridyl)piperazine
CID 94459
6-bromo-3H-imidazo(4,5-b)pyridine-2-thiol
CID 911730
Trovirdine
CID 3000870
1-(5-Bromopyridin-2-yl)piperazine
CID 16414227
5-Bromopyridine-2,3-diamine
CID 691156
1-(3-Fluoro-2-pyridinyl)piperazine
CID 134987
1-(3-Iodopyridin-2-yl)piperazine
CID 11500225
2-N-phenylpyridine-2,3-diamine
CID 10679091
1-(5-Bromo-2-pyridyl)-3-[2-(1-piperidyl)ethyl]thiourea
CID 3001803
Piperazine, 1-(2-pyridinyl)-, dihydrochloride
CID 3040476
N-(2-bromophenyl)-2-[4-(pyridin-2-yl)piperazin-1-yl]acetamide
CID 4207409
6-bromo-3H-imidazo[4,5-b]pyridin-2-ol
CID 1924413

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-(2-piperidin-1-ylethyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-(2-piperidin-1-ylethyl)pyridine-2,5-diamine (CID 79531632) is 3-bromo-2-N-(2-piperidin-1-ylethyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-(2-piperidin-1-ylethyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-(2-piperidin-1-ylethyl)pyridine-2,5-diamine is Nc1cnc(NCCN2CCCCC2)c(Br)c1.
What is the InChIKey of 3-bromo-2-N-(2-piperidin-1-ylethyl)pyridine-2,5-diamine?
The InChIKey is FTMBVJQVWCICAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4/c13-11-8-10(14)9-16-12(11)15-4-7-17-5-2-1-3-6-17/h8-9H,1-7,14H2,(H,15,16).
What are the key properties of 3-bromo-2-N-(2-piperidin-1-ylethyl)pyridine-2,5-diamine?
3-bromo-2-N-(2-piperidin-1-ylethyl)pyridine-2,5-diamine has a molecular weight of 299.22 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-(2-piperidin-1-ylethyl)pyridine-2,5-diamine is sourced from PubChem (CID 79531632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).