3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-5-methylpyridin-2-amine

C11H16BrN3O — CID 105367263

IUPAC3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-5-methylpyridin-2-amine
SMILESCO[C@H]1CNCC1Nc1ncc(C)cc1Br
InChIInChI=1S/C11H16BrN3O/c1-7-3-8(12)11(14-4-7)15-9-5-13-6-10(9)16-2/h3-4,9-10,13H,5-6H2,1-2H3,(H,14,15)/t9?,10-/m0/s1
InChIKeyJVAMQBBJMJWUNJ-AXDSSHIGSA-N
MW286.17 g/mol
LogP1.55
Rot. Bonds3

About 3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-5-methylpyridin-2-amine

3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-5-methylpyridin-2-amine (PubChem CID 105367263) 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]-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-5-methylpyridin-2-amine
PubChem CID105367263
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-5-methylpyridin-2-amine
SMILESCO[C@H]1CNCC1Nc1ncc(C)cc1Br
InChIInChI=1S/C11H16BrN3O/c1-7-3-8(12)11(14-4-7)15-9-5-13-6-10(9)16-2/h3-4,9-10,13H,5-6H2,1-2H3,(H,14,15)/t9?,10-/m0/s1
InChIKeyJVAMQBBJMJWUNJ-AXDSSHIGSA-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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Related Compounds

3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpyridin-2-amine
CID 106876065
N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methyl-5-nitropyridin-2-amine
CID 62475877
N-(3-bromo-5-methyl-2-pyridinyl)azepan-3-amine
CID 105367341
3-bromo-N-cyclobutyl-5-methylpyridin-2-amine
CID 105366896
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpyrimidin-4-amine
CID 62770940
3-bromo-5-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine
CID 105367397
6-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpyrimidin-4-amine
CID 66332908
tert-butyl N-[(1S,2S)-2-[(3-bromo-5-methyl-2-pyridinyl)amino]cyclopentyl]carbamate
CID 118317030
2-[(4-methoxypyrrolidin-3-yl)amino]pyridine-3-carbonitrile
CID 74885215
6-ethyl-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine
CID 61240510
3-bromo-N-(1,1-dioxothian-4-yl)-5-methylpyridin-2-amine
CID 105366729
N-[(4S)-4-methoxypyrrolidin-3-yl]-3-propoxypyridin-2-amine
CID 113371049

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-5-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-5-methylpyridin-2-amine (CID 105367263) is 3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-5-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-5-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-5-methylpyridin-2-amine is CO[C@H]1CNCC1Nc1ncc(C)cc1Br.
What is the InChIKey of 3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-5-methylpyridin-2-amine?
The InChIKey is JVAMQBBJMJWUNJ-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-7-3-8(12)11(14-4-7)15-9-5-13-6-10(9)16-2/h3-4,9-10,13H,5-6H2,1-2H3,(H,14,15)/t9?,10-/m0/s1.
What are the key properties of 3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-5-methylpyridin-2-amine?
3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-5-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]-5-methylpyridin-2-amine is sourced from PubChem (CID 105367263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).