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

C14H13NO5 — CID 54748751

IUPAC3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-oxopyran-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2occc(=O)c2O)cc1
InChIInChI=1S/C14H13NO5/c1-19-10-4-2-9(3-5-10)8-15-14(18)13-12(17)11(16)6-7-20-13/h2-7,17H,8H2,1H3,(H,15,18)
InChIKeyGOTUYMRXYFLYDM-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.28
Rot. Bonds4

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

3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-oxopyran-2-carboxamide (PubChem CID 54748751) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-oxopyran-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-oxopyran-2-carboxamide
PubChem CID54748751
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-oxopyran-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2occc(=O)c2O)cc1
InChIInChI=1S/C14H13NO5/c1-19-10-4-2-9(3-5-10)8-15-14(18)13-12(17)11(16)6-7-20-13/h2-7,17H,8H2,1H3,(H,15,18)
InChIKeyGOTUYMRXYFLYDM-UHFFFAOYSA-N
XLogP1.28
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.28
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]-4-oxopyran-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-oxopyran-2-carboxamide (CID 54748751) is 3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-oxopyran-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-oxopyran-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-oxopyran-2-carboxamide is COc1ccc(CNC(=O)c2occc(=O)c2O)cc1.
What is the InChIKey of 3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-oxopyran-2-carboxamide?
The InChIKey is GOTUYMRXYFLYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c1-19-10-4-2-9(3-5-10)8-15-14(18)13-12(17)11(16)6-7-20-13/h2-7,17H,8H2,1H3,(H,15,18).
What are the key properties of 3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-oxopyran-2-carboxamide?
3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-oxopyran-2-carboxamide has a molecular weight of 275.26 g/mol, XLogP of 1.28, 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]-4-oxopyran-2-carboxamide is sourced from PubChem (CID 54748751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).