(5-carboxyoxy-2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridin-3-yl) ethyl carbonate

C16H18N2O6 — CID 70570530

IUPAC(5-carboxyoxy-2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridin-3-yl) ethyl carbonate
SMILESCCOC(=O)OC1=C(C)NC(C)=C(OC(=O)O)C1c1ccccn1
InChIInChI=1S/C16H18N2O6/c1-4-22-16(21)24-14-10(3)18-9(2)13(23-15(19)20)12(14)11-7-5-6-8-17-11/h5-8,12,18H,4H2,1-3H3,(H,19,20)
InChIKeyYQUPWSRWPGZPPR-UHFFFAOYSA-N
MW334.33 g/mol
LogP3.10
Rot. Bonds4

About (5-carboxyoxy-2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridin-3-yl) ethyl carbonate

(5-carboxyoxy-2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridin-3-yl) ethyl carbonate (PubChem CID 70570530) has the molecular formula C16H18N2O6 and a molecular weight of 334.33 g/mol. Its IUPAC name is (5-carboxyoxy-2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridin-3-yl) ethyl carbonate.

Molecular Properties

Compound Name(5-carboxyoxy-2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridin-3-yl) ethyl carbonate
PubChem CID70570530
Molecular FormulaC16H18N2O6
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC Name(5-carboxyoxy-2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridin-3-yl) ethyl carbonate
SMILESCCOC(=O)OC1=C(C)NC(C)=C(OC(=O)O)C1c1ccccn1
InChIInChI=1S/C16H18N2O6/c1-4-22-16(21)24-14-10(3)18-9(2)13(23-15(19)20)12(14)11-7-5-6-8-17-11/h5-8,12,18H,4H2,1-3H3,(H,19,20)
InChIKeyYQUPWSRWPGZPPR-UHFFFAOYSA-N
XLogP3.10
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (5-carboxyoxy-2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridin-3-yl) ethyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-carboxyoxy-2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridin-3-yl) ethyl carbonate?
The IUPAC name of (5-carboxyoxy-2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridin-3-yl) ethyl carbonate (CID 70570530) is (5-carboxyoxy-2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridin-3-yl) ethyl carbonate.
What is the SMILES notation for (5-carboxyoxy-2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridin-3-yl) ethyl carbonate?
The canonical SMILES for (5-carboxyoxy-2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridin-3-yl) ethyl carbonate is CCOC(=O)OC1=C(C)NC(C)=C(OC(=O)O)C1c1ccccn1.
What is the InChIKey of (5-carboxyoxy-2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridin-3-yl) ethyl carbonate?
The InChIKey is YQUPWSRWPGZPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6/c1-4-22-16(21)24-14-10(3)18-9(2)13(23-15(19)20)12(14)11-7-5-6-8-17-11/h5-8,12,18H,4H2,1-3H3,(H,19,20).
What are the key properties of (5-carboxyoxy-2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridin-3-yl) ethyl carbonate?
(5-carboxyoxy-2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridin-3-yl) ethyl carbonate has a molecular weight of 334.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-carboxyoxy-2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridin-3-yl) ethyl carbonate is sourced from PubChem (CID 70570530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).