4-[(2-cyano-4-pyridinyl)amino]oxolane-3-carboxylic acid

C11H11N3O3 — CID 66240697

IUPAC4-[(2-cyano-4-pyridinyl)amino]oxolane-3-carboxylic acid
SMILESN#Cc1cc(NC2COCC2C(=O)O)ccn1
InChIInChI=1S/C11H11N3O3/c12-4-8-3-7(1-2-13-8)14-10-6-17-5-9(10)11(15)16/h1-3,9-10H,5-6H2,(H,13,14)(H,15,16)
InChIKeyCHHTWGDYVJALMP-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.46
Rot. Bonds3

About 4-[(2-cyano-4-pyridinyl)amino]oxolane-3-carboxylic acid

4-[(2-cyano-4-pyridinyl)amino]oxolane-3-carboxylic acid (PubChem CID 66240697) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 4-[(2-cyano-4-pyridinyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-cyano-4-pyridinyl)amino]oxolane-3-carboxylic acid
PubChem CID66240697
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name4-[(2-cyano-4-pyridinyl)amino]oxolane-3-carboxylic acid
SMILESN#Cc1cc(NC2COCC2C(=O)O)ccn1
InChIInChI=1S/C11H11N3O3/c12-4-8-3-7(1-2-13-8)14-10-6-17-5-9(10)11(15)16/h1-3,9-10H,5-6H2,(H,13,14)(H,15,16)
InChIKeyCHHTWGDYVJALMP-UHFFFAOYSA-N
XLogP0.46
TPSA95.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]oxolane-3-carboxylic acid
CID 66241308
4-[(3-cyanopyrazin-2-yl)amino]oxolane-3-carboxylic acid
CID 66241293
4-(oxan-4-ylamino)pyridine-2-carbonitrile
CID 62924649
4-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]oxolane-3-carboxylic acid
CID 66240706
[(1R,3S)-3-[(2-cyano-4-pyridinyl)amino]cyclohexyl]carbamic acid
CID 174225540
4-[(2-cyano-4-pyridinyl)-propylamino]oxolane-3-carboxylic acid
CID 66252252
4-[(1-ethylimidazol-2-yl)amino]oxolane-3-carboxylic acid
CID 66240502
4-[(2-ethylcyclohexyl)amino]pyridine-2-carbonitrile
CID 62926226
4-[(1-methylazetidin-3-yl)amino]pyridine-2-carbonitrile
CID 130670429
4-(2,3-dihydro-1H-inden-2-ylamino)pyridine-2-carbonitrile
CID 107850570
4-[(2,6-dimethylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 66240895
1-[(2-cyano-4-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 55155310

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyano-4-pyridinyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2-cyano-4-pyridinyl)amino]oxolane-3-carboxylic acid (CID 66240697) is 4-[(2-cyano-4-pyridinyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2-cyano-4-pyridinyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2-cyano-4-pyridinyl)amino]oxolane-3-carboxylic acid is N#Cc1cc(NC2COCC2C(=O)O)ccn1.
What is the InChIKey of 4-[(2-cyano-4-pyridinyl)amino]oxolane-3-carboxylic acid?
The InChIKey is CHHTWGDYVJALMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c12-4-8-3-7(1-2-13-8)14-10-6-17-5-9(10)11(15)16/h1-3,9-10H,5-6H2,(H,13,14)(H,15,16).
What are the key properties of 4-[(2-cyano-4-pyridinyl)amino]oxolane-3-carboxylic acid?
4-[(2-cyano-4-pyridinyl)amino]oxolane-3-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyano-4-pyridinyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66240697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).