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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Related Compounds

1-[5-acetyl-6-[(4-methoxyphenyl)methyl]-2-methyl-4-phenyl-4H-pyran-3-yl]ethanone
CID 101475812
(4S)-5-acetyl-2-amino-6-methyl-4-(3-methylphenyl)-4H-pyran-3-carbonitrile
CID 7831972
1-(6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-5-yl)ethanone
CID 171976478
3-(5-acetyl-2-amino-3-cyano-6-methyl-4H-pyran-4-yl)benzoic acid
CID 122691161
ethyl (4S)-5-acetyl-2-amino-4-(2-bromophenyl)-6-methyl-4H-pyran-3-carboxylate
CID 8613813
ethyl 6-amino-5-cyano-2-methyl-4-phenyl-4H-pyran-3-carboxylate;hydrate
CID 51056751
acetonitrile;(4S)-2-amino-5-benzoyl-6-methyl-4-phenyl-4H-pyran-3-carbonitrile
CID 139060015
(4S)-5-acetyl-2-amino-6-methyl-4-(1-methylpyridin-1-ium-3-yl)-4H-pyran-3-carbonitrile
CID 40534664
(4R)-5-acetyl-2-amino-4-(2-bromophenyl)-6-methyl-4H-pyran-3-carbonitrile
CID 8610749
1-[(13R)-4,11-dimethyl-13-phenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,11-pentaen-12-yl]ethanone
CID 7640801
ethyl (4R)-2-amino-4-phenyl-4H-chromene-3-carboxylate
CID 40554150
ethyl (4R)-5-acetyl-2-amino-4-(3-bromo-4-methoxyphenyl)-6-methyl-4H-pyran-3-carboxylate
CID 8613836

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).