5-bromo-N-(1-ethylpiperidin-4-yl)-3-methylpyridin-2-amine

C13H20BrN3 — CID 79717567

IUPAC5-bromo-N-(1-ethylpiperidin-4-yl)-3-methylpyridin-2-amine
SMILESCCN1CCC(Nc2ncc(Br)cc2C)CC1
InChIInChI=1S/C13H20BrN3/c1-3-17-6-4-12(5-7-17)16-13-10(2)8-11(14)9-15-13/h8-9,12H,3-7H2,1-2H3,(H,15,16)
InChIKeyPCVFFKMEDLKQAO-UHFFFAOYSA-N
MW298.23 g/mol
LogP3.05
Rot. Bonds3

About 5-bromo-N-(1-ethylpiperidin-4-yl)-3-methylpyridin-2-amine

5-bromo-N-(1-ethylpiperidin-4-yl)-3-methylpyridin-2-amine (PubChem CID 79717567) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 5-bromo-N-(1-ethylpiperidin-4-yl)-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1-ethylpiperidin-4-yl)-3-methylpyridin-2-amine
PubChem CID79717567
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name5-bromo-N-(1-ethylpiperidin-4-yl)-3-methylpyridin-2-amine
SMILESCCN1CCC(Nc2ncc(Br)cc2C)CC1
InChIInChI=1S/C13H20BrN3/c1-3-17-6-4-12(5-7-17)16-13-10(2)8-11(14)9-15-13/h8-9,12H,3-7H2,1-2H3,(H,15,16)
InChIKeyPCVFFKMEDLKQAO-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-3-methylpyridin-2-amine
CID 133373826
5-bromo-3-methyl-N-(1-phenylpiperidin-4-yl)pyridin-2-amine
CID 133360054
4-[4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]benzonitrile
CID 133360455
propan-2-yl 4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 133360474
N-(1-ethylpiperidin-4-yl)-5-methylpyrimidin-2-amine
CID 63208182
3,5-dibromo-N-(1-ethylpiperidin-3-yl)pyridin-2-amine
CID 113413667
[4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 133373359
5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylpyridin-2-amine
CID 115693777
N-(4-bromo-2,6-dichlorophenyl)-1-ethylpiperidin-4-amine
CID 28993181
5-bromo-3-chloro-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 103579990
1-ethyl-N-(2,4,6-trimethylphenyl)piperidin-4-amine
CID 54861532
N-(2,4-dibromophenyl)-1-ethylpiperidin-4-amine
CID 43683069

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-ethylpiperidin-4-yl)-3-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-(1-ethylpiperidin-4-yl)-3-methylpyridin-2-amine (CID 79717567) is 5-bromo-N-(1-ethylpiperidin-4-yl)-3-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(1-ethylpiperidin-4-yl)-3-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-(1-ethylpiperidin-4-yl)-3-methylpyridin-2-amine is CCN1CCC(Nc2ncc(Br)cc2C)CC1.
What is the InChIKey of 5-bromo-N-(1-ethylpiperidin-4-yl)-3-methylpyridin-2-amine?
The InChIKey is PCVFFKMEDLKQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-3-17-6-4-12(5-7-17)16-13-10(2)8-11(14)9-15-13/h8-9,12H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 5-bromo-N-(1-ethylpiperidin-4-yl)-3-methylpyridin-2-amine?
5-bromo-N-(1-ethylpiperidin-4-yl)-3-methylpyridin-2-amine has a molecular weight of 298.23 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-ethylpiperidin-4-yl)-3-methylpyridin-2-amine is sourced from PubChem (CID 79717567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).