4-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]oxolane-3-carboxylic acid

C13H15N3O3 — CID 66240706

IUPAC4-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]oxolane-3-carboxylic acid
SMILESCc1cc(C)c(C#N)c(NC2COCC2C(=O)O)n1
InChIInChI=1S/C13H15N3O3/c1-7-3-8(2)15-12(9(7)4-14)16-11-6-19-5-10(11)13(17)18/h3,10-11H,5-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyGLCOVZFKYCCXAK-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.08
Rot. Bonds3

About 4-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]oxolane-3-carboxylic acid

4-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]oxolane-3-carboxylic acid (PubChem CID 66240706) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]oxolane-3-carboxylic acid
PubChem CID66240706
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name4-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]oxolane-3-carboxylic acid
SMILESCc1cc(C)c(C#N)c(NC2COCC2C(=O)O)n1
InChIInChI=1S/C13H15N3O3/c1-7-3-8(2)15-12(9(7)4-14)16-11-6-19-5-10(11)13(17)18/h3,10-11H,5-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyGLCOVZFKYCCXAK-UHFFFAOYSA-N
XLogP1.08
TPSA95.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]oxolane-3-carboxylic acid (CID 66240706) is 4-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]oxolane-3-carboxylic acid is Cc1cc(C)c(C#N)c(NC2COCC2C(=O)O)n1.
What is the InChIKey of 4-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]oxolane-3-carboxylic acid?
The InChIKey is GLCOVZFKYCCXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-7-3-8(2)15-12(9(7)4-14)16-11-6-19-5-10(11)13(17)18/h3,10-11H,5-6H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 4-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]oxolane-3-carboxylic acid?
4-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]oxolane-3-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66240706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).