3-[(Z)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one

C23H21NO3 — CID 6270719

IUPAC3-[(Z)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCOc1ccc(/C=C(\C(=O)c2c(C)cc(C)[nH]c2=O)c2ccccc2)cc1
InChIInChI=1S/C23H21NO3/c1-15-13-16(2)24-23(26)21(15)22(25)20(18-7-5-4-6-8-18)14-17-9-11-19(27-3)12-10-17/h4-14H,1-3H3,(H,24,26)/b20-14-
InChIKeyPPYSTNMWJLRWGP-ZHZULCJRSA-N
MW359.43 g/mol
LogP4.42
Rot. Bonds5

About 3-[(Z)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one

3-[(Z)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 6270719) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-[(Z)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(Z)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one
PubChem CID6270719
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name3-[(Z)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCOc1ccc(/C=C(\C(=O)c2c(C)cc(C)[nH]c2=O)c2ccccc2)cc1
InChIInChI=1S/C23H21NO3/c1-15-13-16(2)24-23(26)21(15)22(25)20(18-7-5-4-6-8-18)14-17-9-11-19(27-3)12-10-17/h4-14H,1-3H3,(H,24,26)/b20-14-
InChIKeyPPYSTNMWJLRWGP-ZHZULCJRSA-N
XLogP4.42
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one
CID 5372226
(E)-3-(4-methoxyphenyl)-2-phenyl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 46226736
3-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one
CID 92929852
(Z)-3-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-2-phenylprop-2-en-1-one
CID 46934100
3-[(E)-3-(4-chlorophenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one
CID 5339154
(E)-N-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1321037
4-(4-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 82089759
3-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)-2-phenylprop-2-enamide
CID 2928456
(E)-2,3-bis(4-methoxyphenyl)prop-2-enamide
CID 11358044
(Z)-3-(4-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 2290505
(E)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316041
(Z)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316043

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-[(Z)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one (CID 6270719) is 3-[(Z)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(Z)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-[(Z)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one is COc1ccc(/C=C(\C(=O)c2c(C)cc(C)[nH]c2=O)c2ccccc2)cc1.
What is the InChIKey of 3-[(Z)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is PPYSTNMWJLRWGP-ZHZULCJRSA-N. The full InChI is InChI=1S/C23H21NO3/c1-15-13-16(2)24-23(26)21(15)22(25)20(18-7-5-4-6-8-18)14-17-9-11-19(27-3)12-10-17/h4-14H,1-3H3,(H,24,26)/b20-14-.
What are the key properties of 3-[(Z)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one?
3-[(Z)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 359.43 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 6270719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).