(4R)-6,7-dimethyl-4-[4-(2-methylprop-2-enoxy)phenyl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione

C20H21NO4 — CID 125433350

IUPAC(4R)-6,7-dimethyl-4-[4-(2-methylprop-2-enoxy)phenyl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
SMILESC=C(C)COc1ccc([C@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)cc1
InChIInChI=1S/C20H21NO4/c1-12(2)11-24-15-7-5-14(6-8-15)16-10-18(22)25-17-9-13(3)21(4)20(23)19(16)17/h5-9,16H,1,10-11H2,2-4H3/t16-/m1/s1
InChIKeyPKZLQJMZIBDTFY-MRXNPFEDSA-N
MW339.39 g/mol
LogP3.09
Rot. Bonds4

About (4R)-6,7-dimethyl-4-[4-(2-methylprop-2-enoxy)phenyl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione

(4R)-6,7-dimethyl-4-[4-(2-methylprop-2-enoxy)phenyl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione (PubChem CID 125433350) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is (4R)-6,7-dimethyl-4-[4-(2-methylprop-2-enoxy)phenyl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name(4R)-6,7-dimethyl-4-[4-(2-methylprop-2-enoxy)phenyl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
PubChem CID125433350
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name(4R)-6,7-dimethyl-4-[4-(2-methylprop-2-enoxy)phenyl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
SMILESC=C(C)COc1ccc([C@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)cc1
InChIInChI=1S/C20H21NO4/c1-12(2)11-24-15-7-5-14(6-8-15)16-10-18(22)25-17-9-13(3)21(4)20(23)19(16)17/h5-9,16H,1,10-11H2,2-4H3/t16-/m1/s1
InChIKeyPKZLQJMZIBDTFY-MRXNPFEDSA-N
XLogP3.09
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-6,7-dimethyl-4-[4-(2-methylprop-2-enoxy)phenyl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of (4R)-6,7-dimethyl-4-[4-(2-methylprop-2-enoxy)phenyl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione (CID 125433350) is (4R)-6,7-dimethyl-4-[4-(2-methylprop-2-enoxy)phenyl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for (4R)-6,7-dimethyl-4-[4-(2-methylprop-2-enoxy)phenyl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for (4R)-6,7-dimethyl-4-[4-(2-methylprop-2-enoxy)phenyl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione is C=C(C)COc1ccc([C@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)cc1.
What is the InChIKey of (4R)-6,7-dimethyl-4-[4-(2-methylprop-2-enoxy)phenyl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is PKZLQJMZIBDTFY-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21NO4/c1-12(2)11-24-15-7-5-14(6-8-15)16-10-18(22)25-17-9-13(3)21(4)20(23)19(16)17/h5-9,16H,1,10-11H2,2-4H3/t16-/m1/s1.
What are the key properties of (4R)-6,7-dimethyl-4-[4-(2-methylprop-2-enoxy)phenyl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
(4R)-6,7-dimethyl-4-[4-(2-methylprop-2-enoxy)phenyl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 339.39 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6,7-dimethyl-4-[4-(2-methylprop-2-enoxy)phenyl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 125433350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).