3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpyridin-2-amine

C11H16BrN3O — CID 106876065

IUPAC3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpyridin-2-amine
SMILESCO[C@H]1CNCC1Nc1nccc(C)c1Br
InChIInChI=1S/C11H16BrN3O/c1-7-3-4-14-11(10(7)12)15-8-5-13-6-9(8)16-2/h3-4,8-9,13H,5-6H2,1-2H3,(H,14,15)/t8?,9-/m0/s1
InChIKeyOKEUGBUXTSTDID-GKAPJAKFSA-N
MW286.17 g/mol
LogP1.55
Rot. Bonds3

About 3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpyridin-2-amine

3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpyridin-2-amine (PubChem CID 106876065) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpyridin-2-amine
PubChem CID106876065
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpyridin-2-amine
SMILESCO[C@H]1CNCC1Nc1nccc(C)c1Br
InChIInChI=1S/C11H16BrN3O/c1-7-3-4-14-11(10(7)12)15-8-5-13-6-9(8)16-2/h3-4,8-9,13H,5-6H2,1-2H3,(H,14,15)/t8?,9-/m0/s1
InChIKeyOKEUGBUXTSTDID-GKAPJAKFSA-N
XLogP1.55
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpyridin-2-amine (CID 106876065) is 3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpyridin-2-amine is CO[C@H]1CNCC1Nc1nccc(C)c1Br.
What is the InChIKey of 3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpyridin-2-amine?
The InChIKey is OKEUGBUXTSTDID-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-7-3-4-14-11(10(7)12)15-8-5-13-6-9(8)16-2/h3-4,8-9,13H,5-6H2,1-2H3,(H,14,15)/t8?,9-/m0/s1.
What are the key properties of 3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpyridin-2-amine?
3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpyridin-2-amine has a molecular weight of 286.17 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpyridin-2-amine is sourced from PubChem (CID 106876065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).