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

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Related Compounds

5-methyl-6-phenyl-3-(pyridin-4-yl)isoxazolo[4,5-c]pyridin-4(5H)-one
CID 23579326
5-phenyl-N-(2-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973877
5-phenyl-N-(3-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973868
N-benzyl-3-[(5-pyridin-4-yl-1,2-oxazol-3-yl)methylamino]benzamide
CID 11603404
N-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)picolinamide
CID 57944963
N-benzyl-3-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methylamino]benzamide
CID 137656838
5-methyl-3-phenyl-N-(pyridin-3-yl)-1,2-oxazole-4-carboxamide
CID 655003
5-methyl-3-phenyl-N-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 1122041
N-pyridin-3-yl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 3242844
5-propyl-N-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 5307578
5-Isobutyl-N-(3-pyridylmethyl)-3-isoxazolecarboxamide
CID 9550630
N-(4-isopropylphenyl)-3-methyl-5-(pyridin-4-ylmethylamino)isoxazole-4-carboxamide
CID 44439507

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).