8-(4-fluoro-2-methoxyphenyl)-2-[methyl(oxan-4-yl)amino]pyrano[2,3-c]pyridin-4-one

C21H21FN2O4 — CID 134810543

IUPAC8-(4-fluoro-2-methoxyphenyl)-2-[methyl(oxan-4-yl)amino]pyrano[2,3-c]pyridin-4-one
SMILESCOc1cc(F)ccc1-c1nccc2c(=O)cc(N(C)C3CCOCC3)oc12
InChIInChI=1S/C21H21FN2O4/c1-24(14-6-9-27-10-7-14)19-12-17(25)15-5-8-23-20(21(15)28-19)16-4-3-13(22)11-18(16)26-2/h3-5,8,11-12,14H,6-7,9-10H2,1-2H3
InChIKeyAGOYGQYWARXAQP-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.62
Rot. Bonds4

About 8-(4-fluoro-2-methoxyphenyl)-2-[methyl(oxan-4-yl)amino]pyrano[2,3-c]pyridin-4-one

8-(4-fluoro-2-methoxyphenyl)-2-[methyl(oxan-4-yl)amino]pyrano[2,3-c]pyridin-4-one (PubChem CID 134810543) has the molecular formula C21H21FN2O4 and a molecular weight of 384.41 g/mol. Its IUPAC name is 8-(4-fluoro-2-methoxyphenyl)-2-[methyl(oxan-4-yl)amino]pyrano[2,3-c]pyridin-4-one.

Molecular Properties

Compound Name8-(4-fluoro-2-methoxyphenyl)-2-[methyl(oxan-4-yl)amino]pyrano[2,3-c]pyridin-4-one
PubChem CID134810543
Molecular FormulaC21H21FN2O4
Molecular Weight384.41 g/mol
Exact Mass384.15
IUPAC Name8-(4-fluoro-2-methoxyphenyl)-2-[methyl(oxan-4-yl)amino]pyrano[2,3-c]pyridin-4-one
SMILESCOc1cc(F)ccc1-c1nccc2c(=O)cc(N(C)C3CCOCC3)oc12
InChIInChI=1S/C21H21FN2O4/c1-24(14-6-9-27-10-7-14)19-12-17(25)15-5-8-23-20(21(15)28-19)16-4-3-13(22)11-18(16)26-2/h3-5,8,11-12,14H,6-7,9-10H2,1-2H3
InChIKeyAGOYGQYWARXAQP-UHFFFAOYSA-N
XLogP3.62
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluoro-2-methoxyphenyl)-2-[methyl(oxan-4-yl)amino]pyrano[2,3-c]pyridin-4-one?
The IUPAC name of 8-(4-fluoro-2-methoxyphenyl)-2-[methyl(oxan-4-yl)amino]pyrano[2,3-c]pyridin-4-one (CID 134810543) is 8-(4-fluoro-2-methoxyphenyl)-2-[methyl(oxan-4-yl)amino]pyrano[2,3-c]pyridin-4-one.
What is the SMILES notation for 8-(4-fluoro-2-methoxyphenyl)-2-[methyl(oxan-4-yl)amino]pyrano[2,3-c]pyridin-4-one?
The canonical SMILES for 8-(4-fluoro-2-methoxyphenyl)-2-[methyl(oxan-4-yl)amino]pyrano[2,3-c]pyridin-4-one is COc1cc(F)ccc1-c1nccc2c(=O)cc(N(C)C3CCOCC3)oc12.
What is the InChIKey of 8-(4-fluoro-2-methoxyphenyl)-2-[methyl(oxan-4-yl)amino]pyrano[2,3-c]pyridin-4-one?
The InChIKey is AGOYGQYWARXAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4/c1-24(14-6-9-27-10-7-14)19-12-17(25)15-5-8-23-20(21(15)28-19)16-4-3-13(22)11-18(16)26-2/h3-5,8,11-12,14H,6-7,9-10H2,1-2H3.
What are the key properties of 8-(4-fluoro-2-methoxyphenyl)-2-[methyl(oxan-4-yl)amino]pyrano[2,3-c]pyridin-4-one?
8-(4-fluoro-2-methoxyphenyl)-2-[methyl(oxan-4-yl)amino]pyrano[2,3-c]pyridin-4-one has a molecular weight of 384.41 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluoro-2-methoxyphenyl)-2-[methyl(oxan-4-yl)amino]pyrano[2,3-c]pyridin-4-one is sourced from PubChem (CID 134810543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).