3-hydroxy-6-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide

C20H17NO4 — CID 54687474

IUPAC3-hydroxy-6-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide
SMILESCc1cc(=O)c(O)c(C(=O)NCc2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C20H17NO4/c1-13-11-17(22)18(23)19(25-13)20(24)21-12-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-11,23H,12H2,1H3,(H,21,24)
InChIKeyZSZOBVLJWIXXND-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.25
Rot. Bonds4

About 3-hydroxy-6-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide

3-hydroxy-6-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide (PubChem CID 54687474) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 3-hydroxy-6-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-6-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide
PubChem CID54687474
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name3-hydroxy-6-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide
SMILESCc1cc(=O)c(O)c(C(=O)NCc2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C20H17NO4/c1-13-11-17(22)18(23)19(25-13)20(24)21-12-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-11,23H,12H2,1H3,(H,21,24)
InChIKeyZSZOBVLJWIXXND-UHFFFAOYSA-N
XLogP3.25
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide?
The IUPAC name of 3-hydroxy-6-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide (CID 54687474) is 3-hydroxy-6-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide.
What is the SMILES notation for 3-hydroxy-6-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide?
The canonical SMILES for 3-hydroxy-6-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide is Cc1cc(=O)c(O)c(C(=O)NCc2ccc(-c3ccccc3)cc2)o1.
What is the InChIKey of 3-hydroxy-6-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide?
The InChIKey is ZSZOBVLJWIXXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-13-11-17(22)18(23)19(25-13)20(24)21-12-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-11,23H,12H2,1H3,(H,21,24).
What are the key properties of 3-hydroxy-6-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide?
3-hydroxy-6-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide is sourced from PubChem (CID 54687474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).