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

C13H20BrN3 — CID 114869240

IUPAC5-bromo-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
SMILESCc1cc(NCC2CCN(C)CC2)ncc1Br
InChIInChI=1S/C13H20BrN3/c1-10-7-13(16-9-12(10)14)15-8-11-3-5-17(2)6-4-11/h7,9,11H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyNTAQVWGDHUOMNN-UHFFFAOYSA-N
MW298.23 g/mol
LogP2.91
Rot. Bonds3

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

5-bromo-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine (PubChem CID 114869240) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
PubChem CID114869240
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name5-bromo-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
SMILESCc1cc(NCC2CCN(C)CC2)ncc1Br
InChIInChI=1S/C13H20BrN3/c1-10-7-13(16-9-12(10)14)15-8-11-3-5-17(2)6-4-11/h7,9,11H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyNTAQVWGDHUOMNN-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

4-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine
CID 79176691
5-bromo-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-amine
CID 113340028
5-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2,4-diamine
CID 83265906
1-[4-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]ethyl]piperidin-1-yl]ethanone
CID 133404189
N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106070852
4-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80812575
5-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-3-amine
CID 107584900
4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 80812495
5-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 60856626
5-bromo-4-methyl-N-(2-morpholin-4-ylethyl)pyridin-2-amine
CID 113340018
5-bromo-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 115773970
2-N-[(1-ethylpiperidin-4-yl)methyl]-5-methylpyridine-2,4-diamine
CID 83265626

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine (CID 114869240) is 5-bromo-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine is Cc1cc(NCC2CCN(C)CC2)ncc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine?
The InChIKey is NTAQVWGDHUOMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-10-7-13(16-9-12(10)14)15-8-11-3-5-17(2)6-4-11/h7,9,11H,3-6,8H2,1-2H3,(H,15,16).
What are the key properties of 5-bromo-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine?
5-bromo-4-methyl-N-[(1-methylpiperidin-4-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-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 114869240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).