3-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]pyridin-4-amine

C10H14ClN3O — CID 79841010

IUPAC3-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]pyridin-4-amine
SMILESCO[C@H]1CNCC1Nc1ccncc1Cl
InChIInChI=1S/C10H14ClN3O/c1-15-10-6-13-5-9(10)14-8-2-3-12-4-7(8)11/h2-4,9-10,13H,5-6H2,1H3,(H,12,14)/t9?,10-/m0/s1
InChIKeyQEBQQYAAIYGMLD-AXDSSHIGSA-N
MW227.69 g/mol
LogP1.13
Rot. Bonds3

About 3-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]pyridin-4-amine

3-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]pyridin-4-amine (PubChem CID 79841010) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 3-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]pyridin-4-amine
PubChem CID79841010
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name3-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]pyridin-4-amine
SMILESCO[C@H]1CNCC1Nc1ccncc1Cl
InChIInChI=1S/C10H14ClN3O/c1-15-10-6-13-5-9(10)14-8-2-3-12-4-7(8)11/h2-4,9-10,13H,5-6H2,1H3,(H,12,14)/t9?,10-/m0/s1
InChIKeyQEBQQYAAIYGMLD-AXDSSHIGSA-N
XLogP1.13
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]pyridin-4-amine?
The IUPAC name of 3-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]pyridin-4-amine (CID 79841010) is 3-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]pyridin-4-amine?
The canonical SMILES for 3-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]pyridin-4-amine is CO[C@H]1CNCC1Nc1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]pyridin-4-amine?
The InChIKey is QEBQQYAAIYGMLD-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-15-10-6-13-5-9(10)14-8-2-3-12-4-7(8)11/h2-4,9-10,13H,5-6H2,1H3,(H,12,14)/t9?,10-/m0/s1.
What are the key properties of 3-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]pyridin-4-amine?
3-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]pyridin-4-amine has a molecular weight of 227.69 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]pyridin-4-amine is sourced from PubChem (CID 79841010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).