3-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine

C11H16BrN3 — CID 104776821

IUPAC3-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine
SMILESCN1CCC(CNc2ccncc2Br)C1
InChIInChI=1S/C11H16BrN3/c1-15-5-3-9(8-15)6-14-11-2-4-13-7-10(11)12/h2,4,7,9H,3,5-6,8H2,1H3,(H,13,14)
InChIKeyAJEUXJOISGYBKL-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.21
Rot. Bonds3

About 3-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine

3-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine (PubChem CID 104776821) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 3-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine
PubChem CID104776821
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name3-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine
SMILESCN1CCC(CNc2ccncc2Br)C1
InChIInChI=1S/C11H16BrN3/c1-15-5-3-9(8-15)6-14-11-2-4-13-7-10(11)12/h2,4,7,9H,3,5-6,8H2,1H3,(H,13,14)
InChIKeyAJEUXJOISGYBKL-UHFFFAOYSA-N
XLogP2.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-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-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine
CID 79841586
3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridin-4-amine
CID 113452023
N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine
CID 60857116
3-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-4-amine
CID 79840711
3-bromo-N-(oxolan-3-ylmethyl)pyridin-4-amine
CID 104776871
3-bromo-4-[(1-methylpyrrolidin-3-yl)methylamino]benzonitrile
CID 82798004
6-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 62406758
6-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine
CID 80791828
2-bromo-3-fluoro-4-[(1-methylpyrrolidin-3-yl)methylamino]benzoic acid
CID 107539976
6-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridazin-3-amine
CID 60856462
5-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 60856626
3-bromo-2-methyl-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 107629665

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine?
The IUPAC name of 3-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine (CID 104776821) is 3-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine?
The canonical SMILES for 3-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine is CN1CCC(CNc2ccncc2Br)C1.
What is the InChIKey of 3-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine?
The InChIKey is AJEUXJOISGYBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-15-5-3-9(8-15)6-14-11-2-4-13-7-10(11)12/h2,4,7,9H,3,5-6,8H2,1H3,(H,13,14).
What are the key properties of 3-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine?
3-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine has a molecular weight of 270.17 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 104776821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).