3-amino-2-(3,4-dimethylpyrrolidin-1-yl)pyridine-4-carboxylic acid

C12H17N3O2 — CID 79181195

IUPAC3-amino-2-(3,4-dimethylpyrrolidin-1-yl)pyridine-4-carboxylic acid
SMILESCC1CN(c2nccc(C(=O)O)c2N)CC1C
InChIInChI=1S/C12H17N3O2/c1-7-5-15(6-8(7)2)11-10(13)9(12(16)17)3-4-14-11/h3-4,7-8H,5-6,13H2,1-2H3,(H,16,17)
InChIKeyZCDKEZJTZSOJDN-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.45
Rot. Bonds2

About 3-amino-2-(3,4-dimethylpyrrolidin-1-yl)pyridine-4-carboxylic acid

3-amino-2-(3,4-dimethylpyrrolidin-1-yl)pyridine-4-carboxylic acid (PubChem CID 79181195) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-amino-2-(3,4-dimethylpyrrolidin-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-(3,4-dimethylpyrrolidin-1-yl)pyridine-4-carboxylic acid
PubChem CID79181195
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-amino-2-(3,4-dimethylpyrrolidin-1-yl)pyridine-4-carboxylic acid
SMILESCC1CN(c2nccc(C(=O)O)c2N)CC1C
InChIInChI=1S/C12H17N3O2/c1-7-5-15(6-8(7)2)11-10(13)9(12(16)17)3-4-14-11/h3-4,7-8H,5-6,13H2,1-2H3,(H,16,17)
InChIKeyZCDKEZJTZSOJDN-UHFFFAOYSA-N
XLogP1.45
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3,4-dimethylpyrrolidin-1-yl)pyridine-4-carboxylic acid?
The IUPAC name of 3-amino-2-(3,4-dimethylpyrrolidin-1-yl)pyridine-4-carboxylic acid (CID 79181195) is 3-amino-2-(3,4-dimethylpyrrolidin-1-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-amino-2-(3,4-dimethylpyrrolidin-1-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-amino-2-(3,4-dimethylpyrrolidin-1-yl)pyridine-4-carboxylic acid is CC1CN(c2nccc(C(=O)O)c2N)CC1C.
What is the InChIKey of 3-amino-2-(3,4-dimethylpyrrolidin-1-yl)pyridine-4-carboxylic acid?
The InChIKey is ZCDKEZJTZSOJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-7-5-15(6-8(7)2)11-10(13)9(12(16)17)3-4-14-11/h3-4,7-8H,5-6,13H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-2-(3,4-dimethylpyrrolidin-1-yl)pyridine-4-carboxylic acid?
3-amino-2-(3,4-dimethylpyrrolidin-1-yl)pyridine-4-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3,4-dimethylpyrrolidin-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 79181195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).