5-acetyl-2-amino-6-methyl-4-phenyl-4H-pyran-3-carboxamide

C15H16N2O3 — CID 132503264

IUPAC5-acetyl-2-amino-6-methyl-4-phenyl-4H-pyran-3-carboxamide
SMILESCC(=O)C1=C(C)OC(N)=C(C(N)=O)C1c1ccccc1
InChIInChI=1S/C15H16N2O3/c1-8(18)11-9(2)20-15(17)13(14(16)19)12(11)10-6-4-3-5-7-10/h3-7,12H,17H2,1-2H3,(H2,16,19)
InChIKeyCGWXZCISZTZFGT-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.32
Rot. Bonds3

About 5-acetyl-2-amino-6-methyl-4-phenyl-4H-pyran-3-carboxamide

5-acetyl-2-amino-6-methyl-4-phenyl-4H-pyran-3-carboxamide (PubChem CID 132503264) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-acetyl-2-amino-6-methyl-4-phenyl-4H-pyran-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-2-amino-6-methyl-4-phenyl-4H-pyran-3-carboxamide
PubChem CID132503264
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name5-acetyl-2-amino-6-methyl-4-phenyl-4H-pyran-3-carboxamide
SMILESCC(=O)C1=C(C)OC(N)=C(C(N)=O)C1c1ccccc1
InChIInChI=1S/C15H16N2O3/c1-8(18)11-9(2)20-15(17)13(14(16)19)12(11)10-6-4-3-5-7-10/h3-7,12H,17H2,1-2H3,(H2,16,19)
InChIKeyCGWXZCISZTZFGT-UHFFFAOYSA-N
XLogP1.32
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-amino-6-methyl-4-phenyl-4H-pyran-3-carboxamide?
The IUPAC name of 5-acetyl-2-amino-6-methyl-4-phenyl-4H-pyran-3-carboxamide (CID 132503264) is 5-acetyl-2-amino-6-methyl-4-phenyl-4H-pyran-3-carboxamide.
What is the SMILES notation for 5-acetyl-2-amino-6-methyl-4-phenyl-4H-pyran-3-carboxamide?
The canonical SMILES for 5-acetyl-2-amino-6-methyl-4-phenyl-4H-pyran-3-carboxamide is CC(=O)C1=C(C)OC(N)=C(C(N)=O)C1c1ccccc1.
What is the InChIKey of 5-acetyl-2-amino-6-methyl-4-phenyl-4H-pyran-3-carboxamide?
The InChIKey is CGWXZCISZTZFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-8(18)11-9(2)20-15(17)13(14(16)19)12(11)10-6-4-3-5-7-10/h3-7,12H,17H2,1-2H3,(H2,16,19).
What are the key properties of 5-acetyl-2-amino-6-methyl-4-phenyl-4H-pyran-3-carboxamide?
5-acetyl-2-amino-6-methyl-4-phenyl-4H-pyran-3-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-amino-6-methyl-4-phenyl-4H-pyran-3-carboxamide is sourced from PubChem (CID 132503264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).