1-[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine

C13H20FN3O2 — CID 103539530

IUPAC1-[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(N2CC(OC)C(OC)C2)c1F
InChIInChI=1S/C13H20FN3O2/c1-15-6-9-4-5-16-13(12(9)14)17-7-10(18-2)11(8-17)19-3/h4-5,10-11,15H,6-8H2,1-3H3
InChIKeyFJAZTINTCMHMDA-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.79
Rot. Bonds5

About 1-[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine

1-[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine (PubChem CID 103539530) has the molecular formula C13H20FN3O2 and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine
PubChem CID103539530
Molecular FormulaC13H20FN3O2
Molecular Weight269.32 g/mol
Exact Mass269.15
IUPAC Name1-[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(N2CC(OC)C(OC)C2)c1F
InChIInChI=1S/C13H20FN3O2/c1-15-6-9-4-5-16-13(12(9)14)17-7-10(18-2)11(8-17)19-3/h4-5,10-11,15H,6-8H2,1-3H3
InChIKeyFJAZTINTCMHMDA-UHFFFAOYSA-N
XLogP0.79
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine (CID 103539530) is 1-[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine is CNCc1ccnc(N2CC(OC)C(OC)C2)c1F.
What is the InChIKey of 1-[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine?
The InChIKey is FJAZTINTCMHMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2/c1-15-6-9-4-5-16-13(12(9)14)17-7-10(18-2)11(8-17)19-3/h4-5,10-11,15H,6-8H2,1-3H3.
What are the key properties of 1-[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine?
1-[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine has a molecular weight of 269.32 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 103539530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).