7-methyl-4-(2,4,6-trimethoxyphenyl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione

C18H19NO6 — CID 71755100

IUPAC7-methyl-4-(2,4,6-trimethoxyphenyl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
SMILESCOc1cc(OC)c(C2CC(=O)Oc3cc(C)[nH]c(=O)c32)c(OC)c1
InChIInChI=1S/C18H19NO6/c1-9-5-14-17(18(21)19-9)11(8-15(20)25-14)16-12(23-3)6-10(22-2)7-13(16)24-4/h5-7,11H,8H2,1-4H3,(H,19,21)
InChIKeyGIJLHCUWBDSHEA-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.15
Rot. Bonds4

About 7-methyl-4-(2,4,6-trimethoxyphenyl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione

7-methyl-4-(2,4,6-trimethoxyphenyl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 71755100) has the molecular formula C18H19NO6 and a molecular weight of 345.35 g/mol. Its IUPAC name is 7-methyl-4-(2,4,6-trimethoxyphenyl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name7-methyl-4-(2,4,6-trimethoxyphenyl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
PubChem CID71755100
Molecular FormulaC18H19NO6
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name7-methyl-4-(2,4,6-trimethoxyphenyl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
SMILESCOc1cc(OC)c(C2CC(=O)Oc3cc(C)[nH]c(=O)c32)c(OC)c1
InChIInChI=1S/C18H19NO6/c1-9-5-14-17(18(21)19-9)11(8-15(20)25-14)16-12(23-3)6-10(22-2)7-13(16)24-4/h5-7,11H,8H2,1-4H3,(H,19,21)
InChIKeyGIJLHCUWBDSHEA-UHFFFAOYSA-N
XLogP2.15
TPSA86.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-(2,4,6-trimethoxyphenyl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 7-methyl-4-(2,4,6-trimethoxyphenyl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione (CID 71755100) is 7-methyl-4-(2,4,6-trimethoxyphenyl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 7-methyl-4-(2,4,6-trimethoxyphenyl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 7-methyl-4-(2,4,6-trimethoxyphenyl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione is COc1cc(OC)c(C2CC(=O)Oc3cc(C)[nH]c(=O)c32)c(OC)c1.
What is the InChIKey of 7-methyl-4-(2,4,6-trimethoxyphenyl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is GIJLHCUWBDSHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6/c1-9-5-14-17(18(21)19-9)11(8-15(20)25-14)16-12(23-3)6-10(22-2)7-13(16)24-4/h5-7,11H,8H2,1-4H3,(H,19,21).
What are the key properties of 7-methyl-4-(2,4,6-trimethoxyphenyl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
7-methyl-4-(2,4,6-trimethoxyphenyl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 345.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-(2,4,6-trimethoxyphenyl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 71755100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).