1-[(4-methylphenyl)methyl]-6-phenyl-3-prop-1-ynylpyridin-2-one

C22H19NO — CID 59099059

IUPAC1-[(4-methylphenyl)methyl]-6-phenyl-3-prop-1-ynylpyridin-2-one
SMILESCC#Cc1ccc(-c2ccccc2)n(Cc2ccc(C)cc2)c1=O
InChIInChI=1S/C22H19NO/c1-3-7-20-14-15-21(19-8-5-4-6-9-19)23(22(20)24)16-18-12-10-17(2)11-13-18/h4-6,8-15H,16H2,1-2H3
InChIKeyHNKLQGCUFVPPMZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.24
Rot. Bonds3

About 1-[(4-methylphenyl)methyl]-6-phenyl-3-prop-1-ynylpyridin-2-one

1-[(4-methylphenyl)methyl]-6-phenyl-3-prop-1-ynylpyridin-2-one (PubChem CID 59099059) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-6-phenyl-3-prop-1-ynylpyridin-2-one.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-6-phenyl-3-prop-1-ynylpyridin-2-one
PubChem CID59099059
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name1-[(4-methylphenyl)methyl]-6-phenyl-3-prop-1-ynylpyridin-2-one
SMILESCC#Cc1ccc(-c2ccccc2)n(Cc2ccc(C)cc2)c1=O
InChIInChI=1S/C22H19NO/c1-3-7-20-14-15-21(19-8-5-4-6-9-19)23(22(20)24)16-18-12-10-17(2)11-13-18/h4-6,8-15H,16H2,1-2H3
InChIKeyHNKLQGCUFVPPMZ-UHFFFAOYSA-N
XLogP4.24
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-2-[(4-methylphenyl)methyl]-3-phenylisoquinolin-1-one
CID 10449864
1-benzyl-2-chloro-5-(4-methylphenyl)pyrrole
CID 45113945
4-methyl-2-[(4-methylphenyl)methyl]-5-phenyl-1H-pyrazol-3-one
CID 104844877
6-(4-methylphenyl)-1-[(4-nitrophenyl)methyl]pyridin-2-one
CID 24730405
6-(4-methylphenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 82099063
2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 17036011
6-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 2765304
6-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]pyridin-2-one
CID 4194648
1,3-dibenzyl-5-(4-chlorophenyl)-6-(4-methylphenyl)pyrimidine-2,4-dione
CID 160895191
1-[2-(dimethylamino)ethyl]-2-oxo-6-phenylpyridine-3-carbonitrile
CID 82099044
N-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-2-imine
CID 18813249
3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one
CID 13170889

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-6-phenyl-3-prop-1-ynylpyridin-2-one?
The IUPAC name of 1-[(4-methylphenyl)methyl]-6-phenyl-3-prop-1-ynylpyridin-2-one (CID 59099059) is 1-[(4-methylphenyl)methyl]-6-phenyl-3-prop-1-ynylpyridin-2-one.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-6-phenyl-3-prop-1-ynylpyridin-2-one?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-6-phenyl-3-prop-1-ynylpyridin-2-one is CC#Cc1ccc(-c2ccccc2)n(Cc2ccc(C)cc2)c1=O.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-6-phenyl-3-prop-1-ynylpyridin-2-one?
The InChIKey is HNKLQGCUFVPPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO/c1-3-7-20-14-15-21(19-8-5-4-6-9-19)23(22(20)24)16-18-12-10-17(2)11-13-18/h4-6,8-15H,16H2,1-2H3.
What are the key properties of 1-[(4-methylphenyl)methyl]-6-phenyl-3-prop-1-ynylpyridin-2-one?
1-[(4-methylphenyl)methyl]-6-phenyl-3-prop-1-ynylpyridin-2-one has a molecular weight of 313.40 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-6-phenyl-3-prop-1-ynylpyridin-2-one is sourced from PubChem (CID 59099059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).