5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine

C13H19BrFN3 — CID 104924188

IUPAC5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
SMILESCN1CCC(CN(C)c2ncc(Br)cc2F)CC1
InChIInChI=1S/C13H19BrFN3/c1-17-5-3-10(4-6-17)9-18(2)13-12(15)7-11(14)8-16-13/h7-8,10H,3-6,9H2,1-2H3
InChIKeyRAYLLJDMHZHJIG-UHFFFAOYSA-N
MW316.22 g/mol
LogP2.76
Rot. Bonds3

About 5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine

5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine (PubChem CID 104924188) has the molecular formula C13H19BrFN3 and a molecular weight of 316.22 g/mol. Its IUPAC name is 5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
PubChem CID104924188
Molecular FormulaC13H19BrFN3
Molecular Weight316.22 g/mol
Exact Mass315.07
IUPAC Name5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
SMILESCN1CCC(CN(C)c2ncc(Br)cc2F)CC1
InChIInChI=1S/C13H19BrFN3/c1-17-5-3-10(4-6-17)9-18(2)13-12(15)7-11(14)8-16-13/h7-8,10H,3-6,9H2,1-2H3
InChIKeyRAYLLJDMHZHJIG-UHFFFAOYSA-N
XLogP2.76
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.22
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]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

5-bromo-3-fluoro-N-methyl-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine
CID 129413890
5-bromo-3-fluoro-N-methyl-N-[[(3S)-oxan-3-yl]methyl]pyridin-2-amine
CID 129413889
5-chloro-N-(cyclopropylmethyl)-3-fluoro-N-methylpyridin-2-amine
CID 79727577
5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine
CID 63274618
3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
CID 63236339
N-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 55173452
5-bromo-2-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 80914649
3-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-amine
CID 63235390
3-(aminomethyl)-5-bromo-N-(cyclobutylmethyl)-N-methylpyridin-2-amine
CID 62855860
5-bromo-2-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 63236918
5-(2-aminoethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 80634857
5-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 80636014

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine (CID 104924188) is 5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine is CN1CCC(CN(C)c2ncc(Br)cc2F)CC1.
What is the InChIKey of 5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine?
The InChIKey is RAYLLJDMHZHJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN3/c1-17-5-3-10(4-6-17)9-18(2)13-12(15)7-11(14)8-16-13/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine?
5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine has a molecular weight of 316.22 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 104924188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).