3-hydroxy-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxopyran-2-carboxamide

C15H15NO5 — CID 54685358

IUPAC3-hydroxy-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxopyran-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2oc(C)cc(=O)c2O)cc1
InChIInChI=1S/C15H15NO5/c1-9-7-12(17)13(18)14(21-9)15(19)16-8-10-3-5-11(20-2)6-4-10/h3-7,18H,8H2,1-2H3,(H,16,19)
InChIKeyFDGGHYRGDJKCPG-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.59
Rot. Bonds4

About 3-hydroxy-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxopyran-2-carboxamide

3-hydroxy-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxopyran-2-carboxamide (PubChem CID 54685358) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-hydroxy-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxopyran-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxopyran-2-carboxamide
PubChem CID54685358
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name3-hydroxy-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxopyran-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2oc(C)cc(=O)c2O)cc1
InChIInChI=1S/C15H15NO5/c1-9-7-12(17)13(18)14(21-9)15(19)16-8-10-3-5-11(20-2)6-4-10/h3-7,18H,8H2,1-2H3,(H,16,19)
InChIKeyFDGGHYRGDJKCPG-UHFFFAOYSA-N
XLogP1.59
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxopyran-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxopyran-2-carboxamide (CID 54685358) is 3-hydroxy-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxopyran-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxopyran-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxopyran-2-carboxamide is COc1ccc(CNC(=O)c2oc(C)cc(=O)c2O)cc1.
What is the InChIKey of 3-hydroxy-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxopyran-2-carboxamide?
The InChIKey is FDGGHYRGDJKCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-9-7-12(17)13(18)14(21-9)15(19)16-8-10-3-5-11(20-2)6-4-10/h3-7,18H,8H2,1-2H3,(H,16,19).
What are the key properties of 3-hydroxy-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxopyran-2-carboxamide?
3-hydroxy-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxopyran-2-carboxamide has a molecular weight of 289.29 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxopyran-2-carboxamide is sourced from PubChem (CID 54685358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).