5-amino-6-(3,4-dimethoxypyrrolidin-1-yl)pyridine-2-carboxylic acid

C12H17N3O4 — CID 103537198

IUPAC5-amino-6-(3,4-dimethoxypyrrolidin-1-yl)pyridine-2-carboxylic acid
SMILESCOC1CN(c2nc(C(=O)O)ccc2N)CC1OC
InChIInChI=1S/C12H17N3O4/c1-18-9-5-15(6-10(9)19-2)11-7(13)3-4-8(14-11)12(16)17/h3-4,9-10H,5-6,13H2,1-2H3,(H,16,17)
InChIKeyLTBKRDPUWUWROB-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.21
Rot. Bonds4

About 5-amino-6-(3,4-dimethoxypyrrolidin-1-yl)pyridine-2-carboxylic acid

5-amino-6-(3,4-dimethoxypyrrolidin-1-yl)pyridine-2-carboxylic acid (PubChem CID 103537198) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-amino-6-(3,4-dimethoxypyrrolidin-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(3,4-dimethoxypyrrolidin-1-yl)pyridine-2-carboxylic acid
PubChem CID103537198
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Name5-amino-6-(3,4-dimethoxypyrrolidin-1-yl)pyridine-2-carboxylic acid
SMILESCOC1CN(c2nc(C(=O)O)ccc2N)CC1OC
InChIInChI=1S/C12H17N3O4/c1-18-9-5-15(6-10(9)19-2)11-7(13)3-4-8(14-11)12(16)17/h3-4,9-10H,5-6,13H2,1-2H3,(H,16,17)
InChIKeyLTBKRDPUWUWROB-UHFFFAOYSA-N
XLogP0.21
TPSA97.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3,4-dimethoxypyrrolidin-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-(3,4-dimethoxypyrrolidin-1-yl)pyridine-2-carboxylic acid (CID 103537198) is 5-amino-6-(3,4-dimethoxypyrrolidin-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-(3,4-dimethoxypyrrolidin-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-(3,4-dimethoxypyrrolidin-1-yl)pyridine-2-carboxylic acid is COC1CN(c2nc(C(=O)O)ccc2N)CC1OC.
What is the InChIKey of 5-amino-6-(3,4-dimethoxypyrrolidin-1-yl)pyridine-2-carboxylic acid?
The InChIKey is LTBKRDPUWUWROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-18-9-5-15(6-10(9)19-2)11-7(13)3-4-8(14-11)12(16)17/h3-4,9-10H,5-6,13H2,1-2H3,(H,16,17).
What are the key properties of 5-amino-6-(3,4-dimethoxypyrrolidin-1-yl)pyridine-2-carboxylic acid?
5-amino-6-(3,4-dimethoxypyrrolidin-1-yl)pyridine-2-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3,4-dimethoxypyrrolidin-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 103537198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).