4-[3-(diethylamino)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboxylic acid

C16H25N3O2 — CID 81037184

IUPAC4-[3-(diethylamino)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboxylic acid
SMILESCCN(CC)C1CCN(c2cc(C)nc(C)c2C(=O)O)C1
InChIInChI=1S/C16H25N3O2/c1-5-18(6-2)13-7-8-19(10-13)14-9-11(3)17-12(4)15(14)16(20)21/h9,13H,5-8,10H2,1-4H3,(H,20,21)
InChIKeyQXRJLRGGTFBWEW-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.32
Rot. Bonds5

About 4-[3-(diethylamino)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboxylic acid

4-[3-(diethylamino)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboxylic acid (PubChem CID 81037184) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[3-(diethylamino)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-(diethylamino)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboxylic acid
PubChem CID81037184
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-[3-(diethylamino)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboxylic acid
SMILESCCN(CC)C1CCN(c2cc(C)nc(C)c2C(=O)O)C1
InChIInChI=1S/C16H25N3O2/c1-5-18(6-2)13-7-8-19(10-13)14-9-11(3)17-12(4)15(14)16(20)21/h9,13H,5-8,10H2,1-4H3,(H,20,21)
InChIKeyQXRJLRGGTFBWEW-UHFFFAOYSA-N
XLogP2.32
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 4-[3-(diethylamino)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboxylic acid (CID 81037184) is 4-[3-(diethylamino)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[3-(diethylamino)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[3-(diethylamino)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboxylic acid is CCN(CC)C1CCN(c2cc(C)nc(C)c2C(=O)O)C1.
What is the InChIKey of 4-[3-(diethylamino)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is QXRJLRGGTFBWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-18(6-2)13-7-8-19(10-13)14-9-11(3)17-12(4)15(14)16(20)21/h9,13H,5-8,10H2,1-4H3,(H,20,21).
What are the key properties of 4-[3-(diethylamino)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboxylic acid?
4-[3-(diethylamino)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 81037184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).