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

C21H18N2O4 — CID 71703768

IUPAC7-methyl-4-[3-(pyridin-3-ylmethoxy)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2c(c(=O)[nH]1)C(c1cccc(OCc3cccnc3)c1)CC(=O)O2
InChIInChI=1S/C21H18N2O4/c1-13-8-18-20(21(25)23-13)17(10-19(24)27-18)15-5-2-6-16(9-15)26-12-14-4-3-7-22-11-14/h2-9,11,17H,10,12H2,1H3,(H,23,25)
InChIKeyAOKZYBWGFCBBOC-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.10
Rot. Bonds4

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

7-methyl-4-[3-(pyridin-3-ylmethoxy)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 71703768) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 7-methyl-4-[3-(pyridin-3-ylmethoxy)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name7-methyl-4-[3-(pyridin-3-ylmethoxy)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
PubChem CID71703768
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name7-methyl-4-[3-(pyridin-3-ylmethoxy)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2c(c(=O)[nH]1)C(c1cccc(OCc3cccnc3)c1)CC(=O)O2
InChIInChI=1S/C21H18N2O4/c1-13-8-18-20(21(25)23-13)17(10-19(24)27-18)15-5-2-6-16(9-15)26-12-14-4-3-7-22-11-14/h2-9,11,17H,10,12H2,1H3,(H,23,25)
InChIKeyAOKZYBWGFCBBOC-UHFFFAOYSA-N
XLogP3.10
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-[3-(pyridin-3-ylmethoxy)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 7-methyl-4-[3-(pyridin-3-ylmethoxy)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione (CID 71703768) is 7-methyl-4-[3-(pyridin-3-ylmethoxy)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 7-methyl-4-[3-(pyridin-3-ylmethoxy)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 7-methyl-4-[3-(pyridin-3-ylmethoxy)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione is Cc1cc2c(c(=O)[nH]1)C(c1cccc(OCc3cccnc3)c1)CC(=O)O2.
What is the InChIKey of 7-methyl-4-[3-(pyridin-3-ylmethoxy)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is AOKZYBWGFCBBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-13-8-18-20(21(25)23-13)17(10-19(24)27-18)15-5-2-6-16(9-15)26-12-14-4-3-7-22-11-14/h2-9,11,17H,10,12H2,1H3,(H,23,25).
What are the key properties of 7-methyl-4-[3-(pyridin-3-ylmethoxy)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
7-methyl-4-[3-(pyridin-3-ylmethoxy)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 362.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-[3-(pyridin-3-ylmethoxy)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 71703768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).