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

C22H20N2O4 — CID 125431494

IUPAC(4S)-6,7-dimethyl-4-[2-(pyridin-2-ylmethoxy)phenyl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2c(c(=O)n1C)[C@H](c1ccccc1OCc1ccccn1)CC(=O)O2
InChIInChI=1S/C22H20N2O4/c1-14-11-19-21(22(26)24(14)2)17(12-20(25)28-19)16-8-3-4-9-18(16)27-13-15-7-5-6-10-23-15/h3-11,17H,12-13H2,1-2H3/t17-/m0/s1
InChIKeyYCDCBQMZJBKDOO-KRWDZBQOSA-N
MW376.41 g/mol
LogP3.11
Rot. Bonds4

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

(4S)-6,7-dimethyl-4-[2-(pyridin-2-ylmethoxy)phenyl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione (PubChem CID 125431494) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is (4S)-6,7-dimethyl-4-[2-(pyridin-2-ylmethoxy)phenyl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name(4S)-6,7-dimethyl-4-[2-(pyridin-2-ylmethoxy)phenyl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
PubChem CID125431494
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name(4S)-6,7-dimethyl-4-[2-(pyridin-2-ylmethoxy)phenyl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2c(c(=O)n1C)[C@H](c1ccccc1OCc1ccccn1)CC(=O)O2
InChIInChI=1S/C22H20N2O4/c1-14-11-19-21(22(26)24(14)2)17(12-20(25)28-19)16-8-3-4-9-18(16)27-13-15-7-5-6-10-23-15/h3-11,17H,12-13H2,1-2H3/t17-/m0/s1
InChIKeyYCDCBQMZJBKDOO-KRWDZBQOSA-N
XLogP3.11
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-6,7-dimethyl-4-[2-(pyridin-2-ylmethoxy)phenyl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of (4S)-6,7-dimethyl-4-[2-(pyridin-2-ylmethoxy)phenyl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione (CID 125431494) is (4S)-6,7-dimethyl-4-[2-(pyridin-2-ylmethoxy)phenyl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for (4S)-6,7-dimethyl-4-[2-(pyridin-2-ylmethoxy)phenyl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for (4S)-6,7-dimethyl-4-[2-(pyridin-2-ylmethoxy)phenyl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione is Cc1cc2c(c(=O)n1C)[C@H](c1ccccc1OCc1ccccn1)CC(=O)O2.
What is the InChIKey of (4S)-6,7-dimethyl-4-[2-(pyridin-2-ylmethoxy)phenyl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is YCDCBQMZJBKDOO-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-14-11-19-21(22(26)24(14)2)17(12-20(25)28-19)16-8-3-4-9-18(16)27-13-15-7-5-6-10-23-15/h3-11,17H,12-13H2,1-2H3/t17-/m0/s1.
What are the key properties of (4S)-6,7-dimethyl-4-[2-(pyridin-2-ylmethoxy)phenyl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
(4S)-6,7-dimethyl-4-[2-(pyridin-2-ylmethoxy)phenyl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 376.41 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6,7-dimethyl-4-[2-(pyridin-2-ylmethoxy)phenyl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 125431494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).