6-methyl-3,4-dioxo-N-(4-phenylphenyl)pyran-2-carboxamide

C19H15NO4 — CID 11573319

IUPAC6-methyl-3,4-dioxo-N-(4-phenylphenyl)pyran-2-carboxamide
SMILESCC1=CC(=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/h2-11,18H,1H3,(H,20,23)
InChIKeyYIIQXHUUMGERBA-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.73
Rot. Bonds3

About 6-methyl-3,4-dioxo-N-(4-phenylphenyl)pyran-2-carboxamide

6-methyl-3,4-dioxo-N-(4-phenylphenyl)pyran-2-carboxamide (PubChem CID 11573319) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 6-methyl-3,4-dioxo-N-(4-phenylphenyl)pyran-2-carboxamide.

Molecular Properties

Compound Name6-methyl-3,4-dioxo-N-(4-phenylphenyl)pyran-2-carboxamide
PubChem CID11573319
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name6-methyl-3,4-dioxo-N-(4-phenylphenyl)pyran-2-carboxamide
SMILESCC1=CC(=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/h2-11,18H,1H3,(H,20,23)
InChIKeyYIIQXHUUMGERBA-UHFFFAOYSA-N
XLogP2.73
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-oxo-N-phenyl-1-benzofuran-2-carboxamide
CID 14294430
N-(4-phenylphenyl)acetamide
CID 19998
(2S)-3-methylidene-1-N,2-N-bis(4-phenylphenyl)cyclopropane-1,2-dicarboxamide
CID 21177977
2,5-dioxo-N-phenylcyclopentane-1-carboxamide
CID 75388196
N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide
CID 8880850
2-amino-N-(4-phenylphenyl)acetamide
CID 43218250
2-methyl-N-(4-methylphenyl)-4-oxo-6-phenylcyclohex-2-ene-1-carboxamide
CID 122395742
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
(1S,5S)-9-oxo-N-(4-phenylphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 50985806
8-oxo-8-(4-phenylanilino)octanoic acid
CID 23092302
2-[(4-phenylphenyl)carbamoylamino]propanoic acid
CID 62254578
N-[4-[[(4-phenylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4507519

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,4-dioxo-N-(4-phenylphenyl)pyran-2-carboxamide?
The IUPAC name of 6-methyl-3,4-dioxo-N-(4-phenylphenyl)pyran-2-carboxamide (CID 11573319) is 6-methyl-3,4-dioxo-N-(4-phenylphenyl)pyran-2-carboxamide.
What is the SMILES notation for 6-methyl-3,4-dioxo-N-(4-phenylphenyl)pyran-2-carboxamide?
The canonical SMILES for 6-methyl-3,4-dioxo-N-(4-phenylphenyl)pyran-2-carboxamide is CC1=CC(=O)C(=O)C(C(=O)Nc2ccc(-c3ccccc3)cc2)O1.
What is the InChIKey of 6-methyl-3,4-dioxo-N-(4-phenylphenyl)pyran-2-carboxamide?
The InChIKey is YIIQXHUUMGERBA-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/h2-11,18H,1H3,(H,20,23).
What are the key properties of 6-methyl-3,4-dioxo-N-(4-phenylphenyl)pyran-2-carboxamide?
6-methyl-3,4-dioxo-N-(4-phenylphenyl)pyran-2-carboxamide has a molecular weight of 321.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,4-dioxo-N-(4-phenylphenyl)pyran-2-carboxamide is sourced from PubChem (CID 11573319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).