(E)-3-[1-benzyl-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyridin-5-yl]-N,N-dimethylprop-2-enamide

C24H26N2O3 — CID 56649723

IUPAC(E)-3-[1-benzyl-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyridin-5-yl]-N,N-dimethylprop-2-enamide
SMILESCOc1ccc(C2CC(=O)C(/C=C/C(=O)N(C)C)=CN2Cc2ccccc2)cc1
InChIInChI=1S/C24H26N2O3/c1-25(2)24(28)14-11-20-17-26(16-18-7-5-4-6-8-18)22(15-23(20)27)19-9-12-21(29-3)13-10-19/h4-14,17,22H,15-16H2,1-3H3/b14-11+
InChIKeyZTTQHYVYLOALDF-SDNWHVSQSA-N
MW390.48 g/mol
LogP3.74
Rot. Bonds6

About (E)-3-[1-benzyl-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyridin-5-yl]-N,N-dimethylprop-2-enamide

(E)-3-[1-benzyl-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyridin-5-yl]-N,N-dimethylprop-2-enamide (PubChem CID 56649723) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is (E)-3-[1-benzyl-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyridin-5-yl]-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[1-benzyl-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyridin-5-yl]-N,N-dimethylprop-2-enamide
PubChem CID56649723
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name(E)-3-[1-benzyl-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyridin-5-yl]-N,N-dimethylprop-2-enamide
SMILESCOc1ccc(C2CC(=O)C(/C=C/C(=O)N(C)C)=CN2Cc2ccccc2)cc1
InChIInChI=1S/C24H26N2O3/c1-25(2)24(28)14-11-20-17-26(16-18-7-5-4-6-8-18)22(15-23(20)27)19-9-12-21(29-3)13-10-19/h4-14,17,22H,15-16H2,1-3H3/b14-11+
InChIKeyZTTQHYVYLOALDF-SDNWHVSQSA-N
XLogP3.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[1-benzyl-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyridin-5-yl]-N,N-dimethylprop-2-enamide?
The IUPAC name of (E)-3-[1-benzyl-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyridin-5-yl]-N,N-dimethylprop-2-enamide (CID 56649723) is (E)-3-[1-benzyl-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyridin-5-yl]-N,N-dimethylprop-2-enamide.
What is the SMILES notation for (E)-3-[1-benzyl-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyridin-5-yl]-N,N-dimethylprop-2-enamide?
The canonical SMILES for (E)-3-[1-benzyl-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyridin-5-yl]-N,N-dimethylprop-2-enamide is COc1ccc(C2CC(=O)C(/C=C/C(=O)N(C)C)=CN2Cc2ccccc2)cc1.
What is the InChIKey of (E)-3-[1-benzyl-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyridin-5-yl]-N,N-dimethylprop-2-enamide?
The InChIKey is ZTTQHYVYLOALDF-SDNWHVSQSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-25(2)24(28)14-11-20-17-26(16-18-7-5-4-6-8-18)22(15-23(20)27)19-9-12-21(29-3)13-10-19/h4-14,17,22H,15-16H2,1-3H3/b14-11+.
What are the key properties of (E)-3-[1-benzyl-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyridin-5-yl]-N,N-dimethylprop-2-enamide?
(E)-3-[1-benzyl-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyridin-5-yl]-N,N-dimethylprop-2-enamide has a molecular weight of 390.48 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1-benzyl-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyridin-5-yl]-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 56649723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).