6-(3-methoxypyrrolidine-1-carbonyl)pyridine-3-carboxylic acid

C12H14N2O4 — CID 103536805

IUPAC6-(3-methoxypyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
SMILESCOC1CCN(C(=O)c2ccc(C(=O)O)cn2)C1
InChIInChI=1S/C12H14N2O4/c1-18-9-4-5-14(7-9)11(15)10-3-2-8(6-13-10)12(16)17/h2-3,6,9H,4-5,7H2,1H3,(H,16,17)
InChIKeyYVNSQZVMUPMMJQ-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.64
Rot. Bonds3

About 6-(3-methoxypyrrolidine-1-carbonyl)pyridine-3-carboxylic acid

6-(3-methoxypyrrolidine-1-carbonyl)pyridine-3-carboxylic acid (PubChem CID 103536805) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 6-(3-methoxypyrrolidine-1-carbonyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-methoxypyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
PubChem CID103536805
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name6-(3-methoxypyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
SMILESCOC1CCN(C(=O)c2ccc(C(=O)O)cn2)C1
InChIInChI=1S/C12H14N2O4/c1-18-9-4-5-14(7-9)11(15)10-3-2-8(6-13-10)12(16)17/h2-3,6,9H,4-5,7H2,1H3,(H,16,17)
InChIKeyYVNSQZVMUPMMJQ-UHFFFAOYSA-N
XLogP0.64
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-hydrazinyl-2-pyridinyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103538701
6-[4-(3,5-dimethoxyanilino)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 154771492
(3-methoxypyrrolidin-1-yl)-(2H-triazol-4-yl)methanone
CID 103536935
5-(3-methoxyazetidine-1-carbonyl)pyrazine-2-carboxylic acid
CID 120689034
[4-(3-hydroxy-3-methylbutyl)phenyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 70781727
[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone
CID 102964022
6-(3-methoxyazetidin-1-yl)pyridine-3-carboxylic acid
CID 121201375
6-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]pyridine-3-carboxamide
CID 119152127
[6-(ethylamino)pyridazin-3-yl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103538464
methyl 6-(3,5-dimethylpiperidine-1-carbonyl)pyridine-3-carboxylate
CID 42945586
methyl 6-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylate
CID 33364889
6-(3-ethoxypiperidine-1-carbonyl)pyridine-3-carbothioamide
CID 63748489

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypyrrolidine-1-carbonyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(3-methoxypyrrolidine-1-carbonyl)pyridine-3-carboxylic acid (CID 103536805) is 6-(3-methoxypyrrolidine-1-carbonyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3-methoxypyrrolidine-1-carbonyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(3-methoxypyrrolidine-1-carbonyl)pyridine-3-carboxylic acid is COC1CCN(C(=O)c2ccc(C(=O)O)cn2)C1.
What is the InChIKey of 6-(3-methoxypyrrolidine-1-carbonyl)pyridine-3-carboxylic acid?
The InChIKey is YVNSQZVMUPMMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-18-9-4-5-14(7-9)11(15)10-3-2-8(6-13-10)12(16)17/h2-3,6,9H,4-5,7H2,1H3,(H,16,17).
What are the key properties of 6-(3-methoxypyrrolidine-1-carbonyl)pyridine-3-carboxylic acid?
6-(3-methoxypyrrolidine-1-carbonyl)pyridine-3-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypyrrolidine-1-carbonyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 103536805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).