2-[3-(dimethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid

C13H19N3O2 — CID 63174772

IUPAC2-[3-(dimethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(N2CCC(N(C)C)C2)n1
InChIInChI=1S/C13H19N3O2/c1-9-4-5-11(13(17)18)12(14-9)16-7-6-10(8-16)15(2)3/h4-5,10H,6-8H2,1-3H3,(H,17,18)
InChIKeyMQXSBWITBGEZOJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.23
Rot. Bonds3

About 2-[3-(dimethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid

2-[3-(dimethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid (PubChem CID 63174772) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[3-(dimethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[3-(dimethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid
PubChem CID63174772
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[3-(dimethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(N2CCC(N(C)C)C2)n1
InChIInChI=1S/C13H19N3O2/c1-9-4-5-11(13(17)18)12(14-9)16-7-6-10(8-16)15(2)3/h4-5,10H,6-8H2,1-3H3,(H,17,18)
InChIKeyMQXSBWITBGEZOJ-UHFFFAOYSA-N
XLogP1.23
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid (CID 63174772) is 2-[3-(dimethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[3-(dimethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[3-(dimethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(N2CCC(N(C)C)C2)n1.
What is the InChIKey of 2-[3-(dimethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid?
The InChIKey is MQXSBWITBGEZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-4-5-11(13(17)18)12(14-9)16-7-6-10(8-16)15(2)3/h4-5,10H,6-8H2,1-3H3,(H,17,18).
What are the key properties of 2-[3-(dimethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid?
2-[3-(dimethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 63174772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).