5-bromo-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-amine

C11H16BrN3 — CID 97164291

IUPAC5-bromo-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-amine
SMILESCN(C[C@@H]1CCCN1)c1ccc(Br)cn1
InChIInChI=1S/C11H16BrN3/c1-15(8-10-3-2-6-13-10)11-5-4-9(12)7-14-11/h4-5,7,10,13H,2-3,6,8H2,1H3/t10-/m0/s1
InChIKeyNRGDEFUXCDKUKM-JTQLQIEISA-N
MW270.17 g/mol
LogP2.03
Rot. Bonds3

About 5-bromo-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-amine

5-bromo-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-amine (PubChem CID 97164291) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-amine
PubChem CID97164291
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name5-bromo-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-amine
SMILESCN(C[C@@H]1CCCN1)c1ccc(Br)cn1
InChIInChI=1S/C11H16BrN3/c1-15(8-10-3-2-6-13-10)11-5-4-9(12)7-14-11/h4-5,7,10,13H,2-3,6,8H2,1H3/t10-/m0/s1
InChIKeyNRGDEFUXCDKUKM-JTQLQIEISA-N
XLogP2.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 71641969
6-[methyl(piperidin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 106642122
N-methyl-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine;hydrochloride
CID 71642016
N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641999
5-bromo-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 62542194
5-iodo-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106618723
5-bromo-2-(pyrrolidin-2-ylmethoxy)pyridine
CID 62347925
5-fluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641981
6-chloro-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine
CID 97164330
2-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 71641983
5-bromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106611118
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-3-amine
CID 10750245

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-amine (CID 97164291) is 5-bromo-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-amine is CN(C[C@@H]1CCCN1)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-amine?
The InChIKey is NRGDEFUXCDKUKM-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16BrN3/c1-15(8-10-3-2-6-13-10)11-5-4-9(12)7-14-11/h4-5,7,10,13H,2-3,6,8H2,1H3/t10-/m0/s1.
What are the key properties of 5-bromo-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-amine?
5-bromo-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-amine has a molecular weight of 270.17 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 97164291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).