[(3S,4S)-1-(3-amino-2-pyridinyl)-4-methylpyrrolidin-3-yl]methanol

C11H17N3O — CID 129497788

IUPAC[(3S,4S)-1-(3-amino-2-pyridinyl)-4-methylpyrrolidin-3-yl]methanol
SMILESC[C@@H]1CN(c2ncccc2N)C[C@H]1CO
InChIInChI=1S/C11H17N3O/c1-8-5-14(6-9(8)7-15)11-10(12)3-2-4-13-11/h2-4,8-9,15H,5-7,12H2,1H3/t8-,9+/m1/s1
InChIKeyNUIYQZNGUHTAGC-BDAKNGLRSA-N
MW207.28 g/mol
LogP0.73
Rot. Bonds2

About [(3S,4S)-1-(3-amino-2-pyridinyl)-4-methylpyrrolidin-3-yl]methanol

[(3S,4S)-1-(3-amino-2-pyridinyl)-4-methylpyrrolidin-3-yl]methanol (PubChem CID 129497788) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is [(3S,4S)-1-(3-amino-2-pyridinyl)-4-methylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4S)-1-(3-amino-2-pyridinyl)-4-methylpyrrolidin-3-yl]methanol
PubChem CID129497788
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name[(3S,4S)-1-(3-amino-2-pyridinyl)-4-methylpyrrolidin-3-yl]methanol
SMILESC[C@@H]1CN(c2ncccc2N)C[C@H]1CO
InChIInChI=1S/C11H17N3O/c1-8-5-14(6-9(8)7-15)11-10(12)3-2-4-13-11/h2-4,8-9,15H,5-7,12H2,1H3/t8-,9+/m1/s1
InChIKeyNUIYQZNGUHTAGC-BDAKNGLRSA-N
XLogP0.73
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S,4R)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129497483
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyridin-3-amine
CID 28845965
(3R,4R)-1-(3-amino-2-pyridinyl)-3-methylpiperidin-4-ol
CID 129445700
2-(3,4-dimethoxypyrrolidin-1-yl)pyridin-3-amine
CID 103530537
(3R,4R)-1-(3-amino-2-pyridinyl)-4-methoxypyrrolidin-3-ol
CID 129359554
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridin-3-amine
CID 66391110
[1-(3-iodo-2-pyridinyl)azetidin-3-yl]methanol
CID 130606478
1-(3-fluoro-2-pyridinyl)-4-methylpyrrolidin-3-amine
CID 103577365
2-(azocan-1-yl)pyridin-3-amine
CID 28799710
3-iodo-2-(3-methylazetidin-1-yl)pyridine
CID 170381224
[(3R,4R)-1-(3-chloro-2-pyridinyl)-4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol
CID 70713957
2-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine
CID 28744763

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-1-(3-amino-2-pyridinyl)-4-methylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3S,4S)-1-(3-amino-2-pyridinyl)-4-methylpyrrolidin-3-yl]methanol (CID 129497788) is [(3S,4S)-1-(3-amino-2-pyridinyl)-4-methylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S,4S)-1-(3-amino-2-pyridinyl)-4-methylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S,4S)-1-(3-amino-2-pyridinyl)-4-methylpyrrolidin-3-yl]methanol is C[C@@H]1CN(c2ncccc2N)C[C@H]1CO.
What is the InChIKey of [(3S,4S)-1-(3-amino-2-pyridinyl)-4-methylpyrrolidin-3-yl]methanol?
The InChIKey is NUIYQZNGUHTAGC-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-5-14(6-9(8)7-15)11-10(12)3-2-4-13-11/h2-4,8-9,15H,5-7,12H2,1H3/t8-,9+/m1/s1.
What are the key properties of [(3S,4S)-1-(3-amino-2-pyridinyl)-4-methylpyrrolidin-3-yl]methanol?
[(3S,4S)-1-(3-amino-2-pyridinyl)-4-methylpyrrolidin-3-yl]methanol has a molecular weight of 207.28 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-1-(3-amino-2-pyridinyl)-4-methylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 129497788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).