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

C17H17NO5 — CID 71754880

IUPAC4-(3,4-dimethoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
SMILESCOc1ccc(C2CC(=O)Oc3cc(C)[nH]c(=O)c32)cc1OC
InChIInChI=1S/C17H17NO5/c1-9-6-14-16(17(20)18-9)11(8-15(19)23-14)10-4-5-12(21-2)13(7-10)22-3/h4-7,11H,8H2,1-3H3,(H,18,20)
InChIKeySPEQKETVBYHXBU-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.14
Rot. Bonds3

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

4-(3,4-dimethoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 71754880) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
PubChem CID71754880
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name4-(3,4-dimethoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
SMILESCOc1ccc(C2CC(=O)Oc3cc(C)[nH]c(=O)c32)cc1OC
InChIInChI=1S/C17H17NO5/c1-9-6-14-16(17(20)18-9)11(8-15(19)23-14)10-4-5-12(21-2)13(7-10)22-3/h4-7,11H,8H2,1-3H3,(H,18,20)
InChIKeySPEQKETVBYHXBU-UHFFFAOYSA-N
XLogP2.14
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione (CID 71754880) is 4-(3,4-dimethoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione is COc1ccc(C2CC(=O)Oc3cc(C)[nH]c(=O)c32)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is SPEQKETVBYHXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-9-6-14-16(17(20)18-9)11(8-15(19)23-14)10-4-5-12(21-2)13(7-10)22-3/h4-7,11H,8H2,1-3H3,(H,18,20).
What are the key properties of 4-(3,4-dimethoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
4-(3,4-dimethoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 315.33 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 71754880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).