2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxylic acid

C15H23N3O2 — CID 81464871

IUPAC2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(N2CC(C)C(N(C)C)C2)n1
InChIInChI=1S/C15H23N3O2/c1-9-6-11(3)16-14(13(9)15(19)20)18-7-10(2)12(8-18)17(4)5/h6,10,12H,7-8H2,1-5H3,(H,19,20)
InChIKeyZKGQCCWNQIWXMN-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.78
Rot. Bonds3

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

2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 81464871) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID81464871
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(N2CC(C)C(N(C)C)C2)n1
InChIInChI=1S/C15H23N3O2/c1-9-6-11(3)16-14(13(9)15(19)20)18-7-10(2)12(8-18)17(4)5/h6,10,12H,7-8H2,1-5H3,(H,19,20)
InChIKeyZKGQCCWNQIWXMN-UHFFFAOYSA-N
XLogP1.78
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxylic acid (CID 81464871) is 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(N2CC(C)C(N(C)C)C2)n1.
What is the InChIKey of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is ZKGQCCWNQIWXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-9-6-11(3)16-14(13(9)15(19)20)18-7-10(2)12(8-18)17(4)5/h6,10,12H,7-8H2,1-5H3,(H,19,20).
What are the key properties of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxylic acid?
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 277.37 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 81464871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).