5-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine

C12H17BrClN3 — CID 106642794

IUPAC5-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine
SMILESCN(CC1CCCNC1)c1ncc(Br)cc1Cl
InChIInChI=1S/C12H17BrClN3/c1-17(8-9-3-2-4-15-6-9)12-11(14)5-10(13)7-16-12/h5,7,9,15H,2-4,6,8H2,1H3
InChIKeyCXELNDCALZMVQA-UHFFFAOYSA-N
MW318.65 g/mol
LogP2.93
Rot. Bonds3

About 5-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine

5-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine (PubChem CID 106642794) has the molecular formula C12H17BrClN3 and a molecular weight of 318.65 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine
PubChem CID106642794
Molecular FormulaC12H17BrClN3
Molecular Weight318.65 g/mol
Exact Mass317.03
IUPAC Name5-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine
SMILESCN(CC1CCCNC1)c1ncc(Br)cc1Cl
InChIInChI=1S/C12H17BrClN3/c1-17(8-9-3-2-4-15-6-9)12-11(14)5-10(13)7-16-12/h5,7,9,15H,2-4,6,8H2,1H3
InChIKeyCXELNDCALZMVQA-UHFFFAOYSA-N
XLogP2.93
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.65
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-methyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796664
5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 106642815
N-[(3-aminocyclobutyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine
CID 103584238
3-chloro-N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 97164580
3-chloro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 97164579
5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine;hydrochloride
CID 71642119
5-bromo-3-chloro-2-(2-piperidin-3-ylethoxy)pyridine
CID 103583976
6-chloro-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine
CID 97164469
5-bromo-3-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
CID 107400761
5-iodo-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 106642624
N,5-dimethyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
CID 106642612
5-bromo-3-chloro-N-cyclobutyl-N-methylpyridin-2-amine
CID 103580299

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine (CID 106642794) is 5-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine is CN(CC1CCCNC1)c1ncc(Br)cc1Cl.
What is the InChIKey of 5-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine?
The InChIKey is CXELNDCALZMVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClN3/c1-17(8-9-3-2-4-15-6-9)12-11(14)5-10(13)7-16-12/h5,7,9,15H,2-4,6,8H2,1H3.
What are the key properties of 5-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine?
5-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine has a molecular weight of 318.65 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 106642794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).