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

C13H20BrN3 — CID 79718992

IUPAC5-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine
SMILESCc1cc(Br)cnc1NCC1CCCN(C)C1
InChIInChI=1S/C13H20BrN3/c1-10-6-12(14)8-16-13(10)15-7-11-4-3-5-17(2)9-11/h6,8,11H,3-5,7,9H2,1-2H3,(H,15,16)
InChIKeyFVISUDUWAFZFKZ-UHFFFAOYSA-N
MW298.23 g/mol
LogP2.91
Rot. Bonds3

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

5-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine (PubChem CID 79718992) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine
PubChem CID79718992
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name5-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine
SMILESCc1cc(Br)cnc1NCC1CCCN(C)C1
InChIInChI=1S/C13H20BrN3/c1-10-6-12(14)8-16-13(10)15-7-11-4-3-5-17(2)9-11/h6,8,11H,3-5,7,9H2,1-2H3,(H,15,16)
InChIKeyFVISUDUWAFZFKZ-UHFFFAOYSA-N
XLogP2.91
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,5-diamine
CID 55080788
5-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine
CID 66279532
5-bromo-3-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
CID 79718882
5-bromo-2-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 80812505
2-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 79718302
6-chloro-4-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-3-amine
CID 114256226
2,5-dichloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 79632916
5-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 105369328
5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylpyridin-2-amine
CID 115693777
3,5,6-trichloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine
CID 102750847
5-bromo-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine
CID 79718768
6-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine
CID 81132211

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine (CID 79718992) is 5-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine is Cc1cc(Br)cnc1NCC1CCCN(C)C1.
What is the InChIKey of 5-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine?
The InChIKey is FVISUDUWAFZFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-10-6-12(14)8-16-13(10)15-7-11-4-3-5-17(2)9-11/h6,8,11H,3-5,7,9H2,1-2H3,(H,15,16).
What are the key properties of 5-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine?
5-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine has a molecular weight of 298.23 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 79718992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).