(4S)-6,7-dimethyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione

C19H21NO6 — CID 125428594

IUPAC(4S)-6,7-dimethyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
SMILESCOc1cc(OC)c([C@@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)cc1OC
InChIInChI=1S/C19H21NO6/c1-10-6-16-18(19(22)20(10)2)12(8-17(21)26-16)11-7-14(24-4)15(25-5)9-13(11)23-3/h6-7,9,12H,8H2,1-5H3/t12-/m0/s1
InChIKeyPVXYIAVFMABULI-LBPRGKRZSA-N
MW359.38 g/mol
LogP2.16
Rot. Bonds4

About (4S)-6,7-dimethyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione

(4S)-6,7-dimethyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione (PubChem CID 125428594) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is (4S)-6,7-dimethyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name(4S)-6,7-dimethyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
PubChem CID125428594
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name(4S)-6,7-dimethyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
SMILESCOc1cc(OC)c([C@@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)cc1OC
InChIInChI=1S/C19H21NO6/c1-10-6-16-18(19(22)20(10)2)12(8-17(21)26-16)11-7-14(24-4)15(25-5)9-13(11)23-3/h6-7,9,12H,8H2,1-5H3/t12-/m0/s1
InChIKeyPVXYIAVFMABULI-LBPRGKRZSA-N
XLogP2.16
TPSA75.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4S)-6,7-dimethyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione with MolForge

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Related Compounds

(4R)-4-(4-methoxynaphthalen-1-yl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 125433547
(4S)-4-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 125428479
(4R)-4-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 125428741
(4S)-4-(7-methoxy-2-oxo-1H-quinolin-3-yl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 125430529
4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 128962758
(4S)-4-(4-fluorophenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 125432766
(4R)-4-(2-chloro-4-fluorophenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 125432221
(4S)-6,7-dimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 125431641
(4S)-6,7-dimethyl-4-[2-(pyridin-2-ylmethoxy)phenyl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 125431494
(4S)-6,7-dimethyl-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 125429718
(4S)-6,7-dimethyl-4-(2-oxo-1H-benzo[g]quinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 125431387
(4R)-6,7-dimethyl-4-[4-(2-methylprop-2-enoxy)phenyl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 125433350

Frequently Asked Questions

What is the IUPAC name of (4S)-6,7-dimethyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of (4S)-6,7-dimethyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione (CID 125428594) is (4S)-6,7-dimethyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for (4S)-6,7-dimethyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for (4S)-6,7-dimethyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione is COc1cc(OC)c([C@@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)cc1OC.
What is the InChIKey of (4S)-6,7-dimethyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is PVXYIAVFMABULI-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H21NO6/c1-10-6-16-18(19(22)20(10)2)12(8-17(21)26-16)11-7-14(24-4)15(25-5)9-13(11)23-3/h6-7,9,12H,8H2,1-5H3/t12-/m0/s1.
What are the key properties of (4S)-6,7-dimethyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
(4S)-6,7-dimethyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 359.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6,7-dimethyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 125428594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).