6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid

C13H19N3O3 — CID 66057235

IUPAC6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILESCN(C)CC1CC(O)CN1c1ccc(C(=O)O)cn1
InChIInChI=1S/C13H19N3O3/c1-15(2)7-10-5-11(17)8-16(10)12-4-3-9(6-14-12)13(18)19/h3-4,6,10-11,17H,5,7-8H2,1-2H3,(H,18,19)
InChIKeyCESIVNCWMCHXFN-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.28
Rot. Bonds4

About 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid

6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 66057235) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid
PubChem CID66057235
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILESCN(C)CC1CC(O)CN1c1ccc(C(=O)O)cn1
InChIInChI=1S/C13H19N3O3/c1-15(2)7-10-5-11(17)8-16(10)12-4-3-9(6-14-12)13(18)19/h3-4,6,10-11,17H,5,7-8H2,1-2H3,(H,18,19)
InChIKeyCESIVNCWMCHXFN-UHFFFAOYSA-N
XLogP0.28
TPSA76.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-2-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66051832
1-(2-aminopyrimidin-4-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 80856576
4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid
CID 81244600
5-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyrazine-2-carbothioamide
CID 66056057
1-[5-chloro-4-(hydroxymethyl)-2-pyridinyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 114920436
5-[(dimethylamino)methyl]-1-[2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80855641
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 66052386
6-(2-ethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 60974707
5-[(dimethylamino)methyl]-1-(6-methoxy-2-pyridinyl)pyrrolidin-3-ol
CID 66052604
6-(2,4-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62331437
4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 77111637
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43586285

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid (CID 66057235) is 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid is CN(C)CC1CC(O)CN1c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is CESIVNCWMCHXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-15(2)7-10-5-11(17)8-16(10)12-4-3-9(6-14-12)13(18)19/h3-4,6,10-11,17H,5,7-8H2,1-2H3,(H,18,19).
What are the key properties of 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid?
6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 66057235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).