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

C15H23N3O2 — CID 62890033

IUPAC2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(N2CCCC2CN(C)C)n1
InChIInChI=1S/C15H23N3O2/c1-10-8-11(2)16-14(13(10)15(19)20)18-7-5-6-12(18)9-17(3)4/h8,12H,5-7,9H2,1-4H3,(H,19,20)
InChIKeyGOFNQGHYHUZFNX-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.93
Rot. Bonds4

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

2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 62890033) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID62890033
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(N2CCCC2CN(C)C)n1
InChIInChI=1S/C15H23N3O2/c1-10-8-11(2)16-14(13(10)15(19)20)18-7-5-6-12(18)9-17(3)4/h8,12H,5-7,9H2,1-4H3,(H,19,20)
InChIKeyGOFNQGHYHUZFNX-UHFFFAOYSA-N
XLogP1.93
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxylic acid (CID 62890033) is 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(N2CCCC2CN(C)C)n1.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is GOFNQGHYHUZFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10-8-11(2)16-14(13(10)15(19)20)18-7-5-6-12(18)9-17(3)4/h8,12H,5-7,9H2,1-4H3,(H,19,20).
What are the key properties of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxylic acid?
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 277.37 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 62890033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).