1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(6-methyl-3-pyridinyl)amino]pyridin-2-one

C23H22N4O2 — CID 90234904

IUPAC1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(6-methyl-3-pyridinyl)amino]pyridin-2-one
SMILESCc1ccc(Nc2cc(-c3c(C)noc3C)cn(Cc3ccccc3)c2=O)cn1
InChIInChI=1S/C23H22N4O2/c1-15-9-10-20(12-24-15)25-21-11-19(22-16(2)26-29-17(22)3)14-27(23(21)28)13-18-7-5-4-6-8-18/h4-12,14,25H,13H2,1-3H3
InChIKeyOAWBGAVPBRFGRH-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.62
Rot. Bonds5

About 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(6-methyl-3-pyridinyl)amino]pyridin-2-one

1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(6-methyl-3-pyridinyl)amino]pyridin-2-one (PubChem CID 90234904) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(6-methyl-3-pyridinyl)amino]pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(6-methyl-3-pyridinyl)amino]pyridin-2-one
PubChem CID90234904
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(6-methyl-3-pyridinyl)amino]pyridin-2-one
SMILESCc1ccc(Nc2cc(-c3c(C)noc3C)cn(Cc3ccccc3)c2=O)cn1
InChIInChI=1S/C23H22N4O2/c1-15-9-10-20(12-24-15)25-21-11-19(22-16(2)26-29-17(22)3)14-27(23(21)28)13-18-7-5-4-6-8-18/h4-12,14,25H,13H2,1-3H3
InChIKeyOAWBGAVPBRFGRH-UHFFFAOYSA-N
XLogP4.62
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(6-methyl-3-pyridinyl)amino]pyridin-2-one 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 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(6-methyl-3-pyridinyl)amino]pyridin-2-one?
The IUPAC name of 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(6-methyl-3-pyridinyl)amino]pyridin-2-one (CID 90234904) is 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(6-methyl-3-pyridinyl)amino]pyridin-2-one.
What is the SMILES notation for 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(6-methyl-3-pyridinyl)amino]pyridin-2-one?
The canonical SMILES for 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(6-methyl-3-pyridinyl)amino]pyridin-2-one is Cc1ccc(Nc2cc(-c3c(C)noc3C)cn(Cc3ccccc3)c2=O)cn1.
What is the InChIKey of 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(6-methyl-3-pyridinyl)amino]pyridin-2-one?
The InChIKey is OAWBGAVPBRFGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-15-9-10-20(12-24-15)25-21-11-19(22-16(2)26-29-17(22)3)14-27(23(21)28)13-18-7-5-4-6-8-18/h4-12,14,25H,13H2,1-3H3.
What are the key properties of 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(6-methyl-3-pyridinyl)amino]pyridin-2-one?
1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(6-methyl-3-pyridinyl)amino]pyridin-2-one has a molecular weight of 386.46 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(6-methyl-3-pyridinyl)amino]pyridin-2-one is sourced from PubChem (CID 90234904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).