3,5-dibromo-N-(1-ethylpiperidin-3-yl)pyridin-2-amine

C12H17Br2N3 — CID 113413667

IUPAC3,5-dibromo-N-(1-ethylpiperidin-3-yl)pyridin-2-amine
SMILESCCN1CCCC(Nc2ncc(Br)cc2Br)C1
InChIInChI=1S/C12H17Br2N3/c1-2-17-5-3-4-10(8-17)16-12-11(14)6-9(13)7-15-12/h6-7,10H,2-5,8H2,1H3,(H,15,16)
InChIKeyPMRZAFXMVVXKRG-UHFFFAOYSA-N
MW363.10 g/mol
LogP3.50
Rot. Bonds3

About 3,5-dibromo-N-(1-ethylpiperidin-3-yl)pyridin-2-amine

3,5-dibromo-N-(1-ethylpiperidin-3-yl)pyridin-2-amine (PubChem CID 113413667) has the molecular formula C12H17Br2N3 and a molecular weight of 363.10 g/mol. Its IUPAC name is 3,5-dibromo-N-(1-ethylpiperidin-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dibromo-N-(1-ethylpiperidin-3-yl)pyridin-2-amine
PubChem CID113413667
Molecular FormulaC12H17Br2N3
Molecular Weight363.10 g/mol
Exact Mass360.98
IUPAC Name3,5-dibromo-N-(1-ethylpiperidin-3-yl)pyridin-2-amine
SMILESCCN1CCCC(Nc2ncc(Br)cc2Br)C1
InChIInChI=1S/C12H17Br2N3/c1-2-17-5-3-4-10(8-17)16-12-11(14)6-9(13)7-15-12/h6-7,10H,2-5,8H2,1H3,(H,15,16)
InChIKeyPMRZAFXMVVXKRG-UHFFFAOYSA-N
XLogP3.50
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.10
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(1-ethylpiperidin-4-yl)-3-methylpyridin-2-amine
CID 79717567
4-bromo-2-N-(1-ethylpiperidin-3-yl)benzene-1,2-diamine
CID 65343642
3,5-dichloro-2-N-ethyl-6-N-(1-ethylpiperidin-3-yl)pyridine-2,6-diamine
CID 102756946
5-chloro-4-N-(1-ethylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 80800762
N-(1-ethylpiperidin-3-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80897250
3-N-(1-ethylpiperidin-3-yl)-1-methylpyrazole-3,4-diamine
CID 103078216
N-(1-ethylpiperidin-3-yl)-2-methylpyrimidin-4-amine
CID 62786064
N-(1-ethylpiperidin-3-yl)-5,6-dimethylpyrazin-2-amine
CID 114475474
N-[(3R)-1-ethylpiperidin-3-yl]-1-methylpyrazolo[3,4-d]pyridazin-7-amine
CID 171783143
5-chloro-N-(1-ethylpiperidin-3-yl)pyridin-2-amine
CID 61170004
N-(1-ethylpiperidin-3-yl)-5-fluoropyridin-2-amine
CID 61313341
4-bromo-2-butyl-5-[(1-ethylpiperidin-3-yl)amino]pyridazin-3-one
CID 114434811

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(1-ethylpiperidin-3-yl)pyridin-2-amine?
The IUPAC name of 3,5-dibromo-N-(1-ethylpiperidin-3-yl)pyridin-2-amine (CID 113413667) is 3,5-dibromo-N-(1-ethylpiperidin-3-yl)pyridin-2-amine.
What is the SMILES notation for 3,5-dibromo-N-(1-ethylpiperidin-3-yl)pyridin-2-amine?
The canonical SMILES for 3,5-dibromo-N-(1-ethylpiperidin-3-yl)pyridin-2-amine is CCN1CCCC(Nc2ncc(Br)cc2Br)C1.
What is the InChIKey of 3,5-dibromo-N-(1-ethylpiperidin-3-yl)pyridin-2-amine?
The InChIKey is PMRZAFXMVVXKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2N3/c1-2-17-5-3-4-10(8-17)16-12-11(14)6-9(13)7-15-12/h6-7,10H,2-5,8H2,1H3,(H,15,16).
What are the key properties of 3,5-dibromo-N-(1-ethylpiperidin-3-yl)pyridin-2-amine?
3,5-dibromo-N-(1-ethylpiperidin-3-yl)pyridin-2-amine has a molecular weight of 363.10 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(1-ethylpiperidin-3-yl)pyridin-2-amine is sourced from PubChem (CID 113413667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).