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

C14H16BrN3 — CID 62305722

IUPAC5-bromo-2-N-(1-phenylpropyl)pyridine-2,3-diamine
SMILESCCC(Nc1ncc(Br)cc1N)c1ccccc1
InChIInChI=1S/C14H16BrN3/c1-2-13(10-6-4-3-5-7-10)18-14-12(16)8-11(15)9-17-14/h3-9,13H,2,16H2,1H3,(H,17,18)
InChIKeyOWRPEUFJYKVBBO-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.99
Rot. Bonds4

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

5-bromo-2-N-(1-phenylpropyl)pyridine-2,3-diamine (PubChem CID 62305722) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 5-bromo-2-N-(1-phenylpropyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N-(1-phenylpropyl)pyridine-2,3-diamine
PubChem CID62305722
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name5-bromo-2-N-(1-phenylpropyl)pyridine-2,3-diamine
SMILESCCC(Nc1ncc(Br)cc1N)c1ccccc1
InChIInChI=1S/C14H16BrN3/c1-2-13(10-6-4-3-5-7-10)18-14-12(16)8-11(15)9-17-14/h3-9,13H,2,16H2,1H3,(H,17,18)
InChIKeyOWRPEUFJYKVBBO-UHFFFAOYSA-N
XLogP3.99
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-N-(1-phenylpropyl)pyridine-2,3-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

5-bromo-2-(1-phenylpropylamino)pyridine-3-carboxylic acid
CID 63539534
4-N-(1-phenylpropyl)pyrimidine-4,5-diamine
CID 79916019
N-(5-bromo-3-methyl-2-pyridinyl)-1-phenylethane-1,2-diamine
CID 79718048
3,5-difluoro-N-(1-phenylpropyl)pyridin-2-amine
CID 112675813
3-bromo-5-nitro-N-(1-phenylpropyl)pyridin-2-amine
CID 79534888
6-chloro-4-N-(1-phenylpropyl)pyrimidine-4,5-diamine
CID 63021888
3-N-(1-phenylpropyl)quinoxaline-2,3-diamine
CID 102984207
5-bromo-2-N-hex-1-yn-3-ylpyridine-2,3-diamine
CID 106233126
5-bromo-2-N-(1-cyclohexylpropyl)pyridine-2,3-diamine
CID 63406303
5-N-(1-phenylpropyl)pyridine-3,5-diamine
CID 104534194
2-N-(1-pyridin-4-ylpropyl)pyridine-2,3-diamine
CID 42609065
5-bromo-2-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine
CID 61229631

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-(1-phenylpropyl)pyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N-(1-phenylpropyl)pyridine-2,3-diamine (CID 62305722) is 5-bromo-2-N-(1-phenylpropyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N-(1-phenylpropyl)pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N-(1-phenylpropyl)pyridine-2,3-diamine is CCC(Nc1ncc(Br)cc1N)c1ccccc1.
What is the InChIKey of 5-bromo-2-N-(1-phenylpropyl)pyridine-2,3-diamine?
The InChIKey is OWRPEUFJYKVBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-2-13(10-6-4-3-5-7-10)18-14-12(16)8-11(15)9-17-14/h3-9,13H,2,16H2,1H3,(H,17,18).
What are the key properties of 5-bromo-2-N-(1-phenylpropyl)pyridine-2,3-diamine?
5-bromo-2-N-(1-phenylpropyl)pyridine-2,3-diamine has a molecular weight of 306.21 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-(1-phenylpropyl)pyridine-2,3-diamine is sourced from PubChem (CID 62305722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).