3-[(3R,4S)-4-methylpyrrolidin-3-yl]pyridin-2-amine

C10H15N3 — CID 171431674

IUPAC3-[(3R,4S)-4-methylpyrrolidin-3-yl]pyridin-2-amine
SMILESC[C@@H]1CNC[C@H]1c1cccnc1N
InChIInChI=1S/C10H15N3/c1-7-5-12-6-9(7)8-3-2-4-13-10(8)11/h2-4,7,9,12H,5-6H2,1H3,(H2,11,13)/t7-,9-/m1/s1
InChIKeyPUCVRJROYPGJMU-VXNVDRBHSA-N
MW177.25 g/mol
LogP0.99
Rot. Bonds1

About 3-[(3R,4S)-4-methylpyrrolidin-3-yl]pyridin-2-amine

3-[(3R,4S)-4-methylpyrrolidin-3-yl]pyridin-2-amine (PubChem CID 171431674) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-[(3R,4S)-4-methylpyrrolidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(3R,4S)-4-methylpyrrolidin-3-yl]pyridin-2-amine
PubChem CID171431674
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name3-[(3R,4S)-4-methylpyrrolidin-3-yl]pyridin-2-amine
SMILESC[C@@H]1CNC[C@H]1c1cccnc1N
InChIInChI=1S/C10H15N3/c1-7-5-12-6-9(7)8-3-2-4-13-10(8)11/h2-4,7,9,12H,5-6H2,1H3,(H2,11,13)/t7-,9-/m1/s1
InChIKeyPUCVRJROYPGJMU-VXNVDRBHSA-N
XLogP0.99
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4S)-4-methylpyrrolidin-3-yl]pyridin-2-amine?
The IUPAC name of 3-[(3R,4S)-4-methylpyrrolidin-3-yl]pyridin-2-amine (CID 171431674) is 3-[(3R,4S)-4-methylpyrrolidin-3-yl]pyridin-2-amine.
What is the SMILES notation for 3-[(3R,4S)-4-methylpyrrolidin-3-yl]pyridin-2-amine?
The canonical SMILES for 3-[(3R,4S)-4-methylpyrrolidin-3-yl]pyridin-2-amine is C[C@@H]1CNC[C@H]1c1cccnc1N.
What is the InChIKey of 3-[(3R,4S)-4-methylpyrrolidin-3-yl]pyridin-2-amine?
The InChIKey is PUCVRJROYPGJMU-VXNVDRBHSA-N. The full InChI is InChI=1S/C10H15N3/c1-7-5-12-6-9(7)8-3-2-4-13-10(8)11/h2-4,7,9,12H,5-6H2,1H3,(H2,11,13)/t7-,9-/m1/s1.
What are the key properties of 3-[(3R,4S)-4-methylpyrrolidin-3-yl]pyridin-2-amine?
3-[(3R,4S)-4-methylpyrrolidin-3-yl]pyridin-2-amine has a molecular weight of 177.25 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4S)-4-methylpyrrolidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 171431674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).