8-[(3,5-dimethoxyphenyl)methylamino]-2-morpholin-4-ylpyrano[2,3-c]pyridin-4-one

C21H23N3O5 — CID 134809845

IUPAC8-[(3,5-dimethoxyphenyl)methylamino]-2-morpholin-4-ylpyrano[2,3-c]pyridin-4-one
SMILESCOc1cc(CNc2nccc3c(=O)cc(N4CCOCC4)oc23)cc(OC)c1
InChIInChI=1S/C21H23N3O5/c1-26-15-9-14(10-16(11-15)27-2)13-23-21-20-17(3-4-22-21)18(25)12-19(29-20)24-5-7-28-8-6-24/h3-4,9-12H,5-8,13H2,1-2H3,(H,22,23)
InChIKeyOMKWUCSYJUNHBQ-UHFFFAOYSA-N
MW397.43 g/mol
LogP2.65
Rot. Bonds6

About 8-[(3,5-dimethoxyphenyl)methylamino]-2-morpholin-4-ylpyrano[2,3-c]pyridin-4-one

8-[(3,5-dimethoxyphenyl)methylamino]-2-morpholin-4-ylpyrano[2,3-c]pyridin-4-one (PubChem CID 134809845) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is 8-[(3,5-dimethoxyphenyl)methylamino]-2-morpholin-4-ylpyrano[2,3-c]pyridin-4-one.

Molecular Properties

Compound Name8-[(3,5-dimethoxyphenyl)methylamino]-2-morpholin-4-ylpyrano[2,3-c]pyridin-4-one
PubChem CID134809845
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name8-[(3,5-dimethoxyphenyl)methylamino]-2-morpholin-4-ylpyrano[2,3-c]pyridin-4-one
SMILESCOc1cc(CNc2nccc3c(=O)cc(N4CCOCC4)oc23)cc(OC)c1
InChIInChI=1S/C21H23N3O5/c1-26-15-9-14(10-16(11-15)27-2)13-23-21-20-17(3-4-22-21)18(25)12-19(29-20)24-5-7-28-8-6-24/h3-4,9-12H,5-8,13H2,1-2H3,(H,22,23)
InChIKeyOMKWUCSYJUNHBQ-UHFFFAOYSA-N
XLogP2.65
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[(3,5-dimethoxyphenyl)methylamino]-2-morpholin-4-ylpyrano[2,3-c]pyridin-4-one?
The IUPAC name of 8-[(3,5-dimethoxyphenyl)methylamino]-2-morpholin-4-ylpyrano[2,3-c]pyridin-4-one (CID 134809845) is 8-[(3,5-dimethoxyphenyl)methylamino]-2-morpholin-4-ylpyrano[2,3-c]pyridin-4-one.
What is the SMILES notation for 8-[(3,5-dimethoxyphenyl)methylamino]-2-morpholin-4-ylpyrano[2,3-c]pyridin-4-one?
The canonical SMILES for 8-[(3,5-dimethoxyphenyl)methylamino]-2-morpholin-4-ylpyrano[2,3-c]pyridin-4-one is COc1cc(CNc2nccc3c(=O)cc(N4CCOCC4)oc23)cc(OC)c1.
What is the InChIKey of 8-[(3,5-dimethoxyphenyl)methylamino]-2-morpholin-4-ylpyrano[2,3-c]pyridin-4-one?
The InChIKey is OMKWUCSYJUNHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-26-15-9-14(10-16(11-15)27-2)13-23-21-20-17(3-4-22-21)18(25)12-19(29-20)24-5-7-28-8-6-24/h3-4,9-12H,5-8,13H2,1-2H3,(H,22,23).
What are the key properties of 8-[(3,5-dimethoxyphenyl)methylamino]-2-morpholin-4-ylpyrano[2,3-c]pyridin-4-one?
8-[(3,5-dimethoxyphenyl)methylamino]-2-morpholin-4-ylpyrano[2,3-c]pyridin-4-one has a molecular weight of 397.43 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,5-dimethoxyphenyl)methylamino]-2-morpholin-4-ylpyrano[2,3-c]pyridin-4-one is sourced from PubChem (CID 134809845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).