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

C19H15NO4 — CID 54724245

IUPAC3-hydroxy-6-methyl-4-oxo-N-(4-phenylphenyl)pyran-2-carboxamide
SMILESCc1cc(=O)c(O)c(C(=O)Nc2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C19H15NO4/c1-12-11-16(21)17(22)18(24-12)19(23)20-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-11,22H,1H3,(H,20,23)
InChIKeyNSNIMBVRZAVGDM-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.57
Rot. Bonds3

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

3-hydroxy-6-methyl-4-oxo-N-(4-phenylphenyl)pyran-2-carboxamide (PubChem CID 54724245) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 3-hydroxy-6-methyl-4-oxo-N-(4-phenylphenyl)pyran-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-6-methyl-4-oxo-N-(4-phenylphenyl)pyran-2-carboxamide
PubChem CID54724245
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name3-hydroxy-6-methyl-4-oxo-N-(4-phenylphenyl)pyran-2-carboxamide
SMILESCc1cc(=O)c(O)c(C(=O)Nc2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C19H15NO4/c1-12-11-16(21)17(22)18(24-12)19(23)20-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-11,22H,1H3,(H,20,23)
InChIKeyNSNIMBVRZAVGDM-UHFFFAOYSA-N
XLogP3.57
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-6-methyl-4-oxo-N-phenylpyran-3-carboxamide
CID 14128678
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
N-(4-phenylphenyl)acetamide
CID 19998
3-hydroxy-6-methyl-2-[(4-phenylphenyl)methoxymethyl]pyran-4-one
CID 44591824
3-(2-hydroxy-3-methylphenyl)-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 135675392
2,3,4-trihydroxy-N-(4-phenylphenyl)benzamide
CID 139689164
3-hydroxy-6-(hydroxymethyl)-2-[(4-phenylanilino)methyl]pyran-4-one
CID 123947516
5-bromo-N-(4-phenylphenyl)furan-2-carboxamide
CID 6624475
2-hydroxy-3,5-diiodo-N-(4-phenylphenyl)benzamide
CID 90645537
N-(4-methylphenyl)-4-methylsulfanyl-2-oxo-6-phenylpyran-3-carboxamide
CID 71470520
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
N-(3,4-dimethylphenyl)-3-[(4-phenylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 16817911

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-methyl-4-oxo-N-(4-phenylphenyl)pyran-2-carboxamide?
The IUPAC name of 3-hydroxy-6-methyl-4-oxo-N-(4-phenylphenyl)pyran-2-carboxamide (CID 54724245) is 3-hydroxy-6-methyl-4-oxo-N-(4-phenylphenyl)pyran-2-carboxamide.
What is the SMILES notation for 3-hydroxy-6-methyl-4-oxo-N-(4-phenylphenyl)pyran-2-carboxamide?
The canonical SMILES for 3-hydroxy-6-methyl-4-oxo-N-(4-phenylphenyl)pyran-2-carboxamide is Cc1cc(=O)c(O)c(C(=O)Nc2ccc(-c3ccccc3)cc2)o1.
What is the InChIKey of 3-hydroxy-6-methyl-4-oxo-N-(4-phenylphenyl)pyran-2-carboxamide?
The InChIKey is NSNIMBVRZAVGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c1-12-11-16(21)17(22)18(24-12)19(23)20-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-11,22H,1H3,(H,20,23).
What are the key properties of 3-hydroxy-6-methyl-4-oxo-N-(4-phenylphenyl)pyran-2-carboxamide?
3-hydroxy-6-methyl-4-oxo-N-(4-phenylphenyl)pyran-2-carboxamide has a molecular weight of 321.33 g/mol, XLogP of 3.57, 3 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)pyran-2-carboxamide is sourced from PubChem (CID 54724245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).