3-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pyridine-2-carboxylic acid

C13H17N3O5 — CID 103536527

IUPAC3-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pyridine-2-carboxylic acid
SMILESCOC1CN(C(=O)Nc2cccnc2C(=O)O)CC1OC
InChIInChI=1S/C13H17N3O5/c1-20-9-6-16(7-10(9)21-2)13(19)15-8-4-3-5-14-11(8)12(17)18/h3-5,9-10H,6-7H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyLJDAUUTUPXGSSF-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.66
Rot. Bonds4

About 3-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pyridine-2-carboxylic acid

3-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pyridine-2-carboxylic acid (PubChem CID 103536527) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 3-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pyridine-2-carboxylic acid
PubChem CID103536527
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name3-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pyridine-2-carboxylic acid
SMILESCOC1CN(C(=O)Nc2cccnc2C(=O)O)CC1OC
InChIInChI=1S/C13H17N3O5/c1-20-9-6-16(7-10(9)21-2)13(19)15-8-4-3-5-14-11(8)12(17)18/h3-5,9-10H,6-7H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyLJDAUUTUPXGSSF-UHFFFAOYSA-N
XLogP0.66
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,6-dimethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 104743147
3-[(4-methylpiperazine-1-carbonyl)amino]pyridine-2-carboxylic acid
CID 113447866
3-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]pyridine-2-carboxylic acid
CID 107228275
3-(4-methoxypentanoylamino)pyridine-2-carboxylic acid
CID 113447517
N-(2-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 47042573
3-(methylamino)pyridine-2-carboxylic acid
CID 19779285
3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104740545
3-[(3-ethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 104743315
1-N-(2-methoxy-3-pyridinyl)piperidine-1,4-dicarboxamide
CID 47222931
4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79043144
3-(2,3-dimethylbutanoylamino)pyridine-2-carboxylic acid
CID 104740180
3-(cyclooctanecarbonylamino)pyridine-2-carboxylic acid
CID 104740375

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pyridine-2-carboxylic acid (CID 103536527) is 3-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pyridine-2-carboxylic acid is COC1CN(C(=O)Nc2cccnc2C(=O)O)CC1OC.
What is the InChIKey of 3-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pyridine-2-carboxylic acid?
The InChIKey is LJDAUUTUPXGSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-20-9-6-16(7-10(9)21-2)13(19)15-8-4-3-5-14-11(8)12(17)18/h3-5,9-10H,6-7H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 3-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pyridine-2-carboxylic acid?
3-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pyridine-2-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 103536527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).