6-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid

C18H20N2O4 — CID 97271592

IUPAC6-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILESCOc1ccc(OC)c([C@H]2CCN(c3ccc(C(=O)O)cn3)C2)c1
InChIInChI=1S/C18H20N2O4/c1-23-14-4-5-16(24-2)15(9-14)13-7-8-20(11-13)17-6-3-12(10-19-17)18(21)22/h3-6,9-10,13H,7-8,11H2,1-2H3,(H,21,22)/t13-/m0/s1
InChIKeyILIBEQNSZHOFSU-ZDUSSCGKSA-N
MW328.37 g/mol
LogP2.79
Rot. Bonds5

About 6-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid

6-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 97271592) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 6-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
PubChem CID97271592
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name6-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILESCOc1ccc(OC)c([C@H]2CCN(c3ccc(C(=O)O)cn3)C2)c1
InChIInChI=1S/C18H20N2O4/c1-23-14-4-5-16(24-2)15(9-14)13-7-8-20(11-13)17-6-3-12(10-19-17)18(21)22/h3-6,9-10,13H,7-8,11H2,1-2H3,(H,21,22)/t13-/m0/s1
InChIKeyILIBEQNSZHOFSU-ZDUSSCGKSA-N
XLogP2.79
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 70740438
6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129371025
6-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 129445649
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 70741338
6-(3-methoxyazetidin-1-yl)pyridine-3-carboxylic acid
CID 121201375
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylic acid
CID 4967934
6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971609
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 50956041
6-(4-carboxypiperidin-1-yl)pyridine-3-carboxylic acid
CID 71212709
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 70755395
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 70712972
[6-[3-(2,5-dimethoxyphenyl)piperidin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
CID 58207474

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid (CID 97271592) is 6-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid is COc1ccc(OC)c([C@H]2CCN(c3ccc(C(=O)O)cn3)C2)c1.
What is the InChIKey of 6-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is ILIBEQNSZHOFSU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-23-14-4-5-16(24-2)15(9-14)13-7-8-20(11-13)17-6-3-12(10-19-17)18(21)22/h3-6,9-10,13H,7-8,11H2,1-2H3,(H,21,22)/t13-/m0/s1.
What are the key properties of 6-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
6-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 97271592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).