6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxylic acid

C13H19N3O2 — CID 63208877

IUPAC6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxylic acid
SMILESCN(CCN1CCCC1)c1ccc(C(=O)O)cn1
InChIInChI=1S/C13H19N3O2/c1-15(8-9-16-6-2-3-7-16)12-5-4-11(10-14-12)13(17)18/h4-5,10H,2-3,6-9H2,1H3,(H,17,18)
InChIKeySDSJGQRWAVFAJS-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.31
Rot. Bonds5

About 6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxylic acid

6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxylic acid (PubChem CID 63208877) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxylic acid
PubChem CID63208877
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxylic acid
SMILESCN(CCN1CCCC1)c1ccc(C(=O)O)cn1
InChIInChI=1S/C13H19N3O2/c1-15(8-9-16-6-2-3-7-16)12-5-4-11(10-14-12)13(17)18/h4-5,10H,2-3,6-9H2,1H3,(H,17,18)
InChIKeySDSJGQRWAVFAJS-UHFFFAOYSA-N
XLogP1.31
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxylic acid (CID 63208877) is 6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxylic acid is CN(CCN1CCCC1)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxylic acid?
The InChIKey is SDSJGQRWAVFAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15(8-9-16-6-2-3-7-16)12-5-4-11(10-14-12)13(17)18/h4-5,10H,2-3,6-9H2,1H3,(H,17,18).
What are the key properties of 6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxylic acid?
6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63208877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).