3-[(4-methoxyphenyl)methylamino]-6-methyl-4-phenyl-1H-pyridin-2-one

C20H20N2O2 — CID 155908549

IUPAC3-[(4-methoxyphenyl)methylamino]-6-methyl-4-phenyl-1H-pyridin-2-one
SMILESCOc1ccc(CNc2c(-c3ccccc3)cc(C)[nH]c2=O)cc1
InChIInChI=1S/C20H20N2O2/c1-14-12-18(16-6-4-3-5-7-16)19(20(23)22-14)21-13-15-8-10-17(24-2)11-9-15/h3-12,21H,13H2,1-2H3,(H,22,23)
InChIKeyCAQTYBWGUSVQGL-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.97
Rot. Bonds5

About 3-[(4-methoxyphenyl)methylamino]-6-methyl-4-phenyl-1H-pyridin-2-one

3-[(4-methoxyphenyl)methylamino]-6-methyl-4-phenyl-1H-pyridin-2-one (PubChem CID 155908549) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methylamino]-6-methyl-4-phenyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methylamino]-6-methyl-4-phenyl-1H-pyridin-2-one
PubChem CID155908549
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name3-[(4-methoxyphenyl)methylamino]-6-methyl-4-phenyl-1H-pyridin-2-one
SMILESCOc1ccc(CNc2c(-c3ccccc3)cc(C)[nH]c2=O)cc1
InChIInChI=1S/C20H20N2O2/c1-14-12-18(16-6-4-3-5-7-16)19(20(23)22-14)21-13-15-8-10-17(24-2)11-9-15/h3-12,21H,13H2,1-2H3,(H,22,23)
InChIKeyCAQTYBWGUSVQGL-UHFFFAOYSA-N
XLogP3.97
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methylamino]-6-methyl-4-phenyl-1H-pyridin-2-one?
The IUPAC name of 3-[(4-methoxyphenyl)methylamino]-6-methyl-4-phenyl-1H-pyridin-2-one (CID 155908549) is 3-[(4-methoxyphenyl)methylamino]-6-methyl-4-phenyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(4-methoxyphenyl)methylamino]-6-methyl-4-phenyl-1H-pyridin-2-one?
The canonical SMILES for 3-[(4-methoxyphenyl)methylamino]-6-methyl-4-phenyl-1H-pyridin-2-one is COc1ccc(CNc2c(-c3ccccc3)cc(C)[nH]c2=O)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methylamino]-6-methyl-4-phenyl-1H-pyridin-2-one?
The InChIKey is CAQTYBWGUSVQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-14-12-18(16-6-4-3-5-7-16)19(20(23)22-14)21-13-15-8-10-17(24-2)11-9-15/h3-12,21H,13H2,1-2H3,(H,22,23).
What are the key properties of 3-[(4-methoxyphenyl)methylamino]-6-methyl-4-phenyl-1H-pyridin-2-one?
3-[(4-methoxyphenyl)methylamino]-6-methyl-4-phenyl-1H-pyridin-2-one has a molecular weight of 320.39 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methylamino]-6-methyl-4-phenyl-1H-pyridin-2-one is sourced from PubChem (CID 155908549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).