N-[5-acetyl-6-[(E)-2-(dimethylamino)ethenyl]-2-oxopyran-3-yl]-4-methylbenzamide

C19H20N2O4 — CID 1475605

IUPACN-[5-acetyl-6-[(E)-2-(dimethylamino)ethenyl]-2-oxopyran-3-yl]-4-methylbenzamide
SMILESCC(=O)c1cc(NC(=O)c2ccc(C)cc2)c(=O)oc1/C=C/N(C)C
InChIInChI=1S/C19H20N2O4/c1-12-5-7-14(8-6-12)18(23)20-16-11-15(13(2)22)17(25-19(16)24)9-10-21(3)4/h5-11H,1-4H3,(H,20,23)/b10-9+
InChIKeyNFVMKPIHLAAYOL-MDZDMXLPSA-N
MW340.38 g/mol
LogP2.94
Rot. Bonds5

About N-[5-acetyl-6-[(E)-2-(dimethylamino)ethenyl]-2-oxopyran-3-yl]-4-methylbenzamide

N-[5-acetyl-6-[(E)-2-(dimethylamino)ethenyl]-2-oxopyran-3-yl]-4-methylbenzamide (PubChem CID 1475605) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[5-acetyl-6-[(E)-2-(dimethylamino)ethenyl]-2-oxopyran-3-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-acetyl-6-[(E)-2-(dimethylamino)ethenyl]-2-oxopyran-3-yl]-4-methylbenzamide
PubChem CID1475605
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-[5-acetyl-6-[(E)-2-(dimethylamino)ethenyl]-2-oxopyran-3-yl]-4-methylbenzamide
SMILESCC(=O)c1cc(NC(=O)c2ccc(C)cc2)c(=O)oc1/C=C/N(C)C
InChIInChI=1S/C19H20N2O4/c1-12-5-7-14(8-6-12)18(23)20-16-11-15(13(2)22)17(25-19(16)24)9-10-21(3)4/h5-11H,1-4H3,(H,20,23)/b10-9+
InChIKeyNFVMKPIHLAAYOL-MDZDMXLPSA-N
XLogP2.94
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-acetyl-6-[(E)-2-(dimethylamino)ethenyl]-2-oxopyran-3-yl]-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-acetyl-6-[(E)-2-(dimethylamino)ethenyl]-2-oxopyran-3-yl]-4-methylbenzamide?
The IUPAC name of N-[5-acetyl-6-[(E)-2-(dimethylamino)ethenyl]-2-oxopyran-3-yl]-4-methylbenzamide (CID 1475605) is N-[5-acetyl-6-[(E)-2-(dimethylamino)ethenyl]-2-oxopyran-3-yl]-4-methylbenzamide.
What is the SMILES notation for N-[5-acetyl-6-[(E)-2-(dimethylamino)ethenyl]-2-oxopyran-3-yl]-4-methylbenzamide?
The canonical SMILES for N-[5-acetyl-6-[(E)-2-(dimethylamino)ethenyl]-2-oxopyran-3-yl]-4-methylbenzamide is CC(=O)c1cc(NC(=O)c2ccc(C)cc2)c(=O)oc1/C=C/N(C)C.
What is the InChIKey of N-[5-acetyl-6-[(E)-2-(dimethylamino)ethenyl]-2-oxopyran-3-yl]-4-methylbenzamide?
The InChIKey is NFVMKPIHLAAYOL-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12-5-7-14(8-6-12)18(23)20-16-11-15(13(2)22)17(25-19(16)24)9-10-21(3)4/h5-11H,1-4H3,(H,20,23)/b10-9+.
What are the key properties of N-[5-acetyl-6-[(E)-2-(dimethylamino)ethenyl]-2-oxopyran-3-yl]-4-methylbenzamide?
N-[5-acetyl-6-[(E)-2-(dimethylamino)ethenyl]-2-oxopyran-3-yl]-4-methylbenzamide has a molecular weight of 340.38 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-acetyl-6-[(E)-2-(dimethylamino)ethenyl]-2-oxopyran-3-yl]-4-methylbenzamide is sourced from PubChem (CID 1475605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).