2-methyl-3-phenyl-3-(pyridin-2-ylamino)isoindol-1-one

C20H17N3O — CID 23965214

IUPAC2-methyl-3-phenyl-3-(pyridin-2-ylamino)isoindol-1-one
SMILESCN1C(=O)c2ccccc2C1(Nc1ccccn1)c1ccccc1
InChIInChI=1S/C20H17N3O/c1-23-19(24)16-11-5-6-12-17(16)20(23,15-9-3-2-4-10-15)22-18-13-7-8-14-21-18/h2-14H,1H3,(H,21,22)
InChIKeyYSSLHIGLSNEYGK-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.48
Rot. Bonds3

About 2-methyl-3-phenyl-3-(pyridin-2-ylamino)isoindol-1-one

2-methyl-3-phenyl-3-(pyridin-2-ylamino)isoindol-1-one (PubChem CID 23965214) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-methyl-3-phenyl-3-(pyridin-2-ylamino)isoindol-1-one.

Molecular Properties

Compound Name2-methyl-3-phenyl-3-(pyridin-2-ylamino)isoindol-1-one
PubChem CID23965214
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name2-methyl-3-phenyl-3-(pyridin-2-ylamino)isoindol-1-one
SMILESCN1C(=O)c2ccccc2C1(Nc1ccccn1)c1ccccc1
InChIInChI=1S/C20H17N3O/c1-23-19(24)16-11-5-6-12-17(16)20(23,15-9-3-2-4-10-15)22-18-13-7-8-14-21-18/h2-14H,1H3,(H,21,22)
InChIKeyYSSLHIGLSNEYGK-UHFFFAOYSA-N
XLogP3.48
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-3-(pyridin-2-ylamino)isoindol-1-one?
The IUPAC name of 2-methyl-3-phenyl-3-(pyridin-2-ylamino)isoindol-1-one (CID 23965214) is 2-methyl-3-phenyl-3-(pyridin-2-ylamino)isoindol-1-one.
What is the SMILES notation for 2-methyl-3-phenyl-3-(pyridin-2-ylamino)isoindol-1-one?
The canonical SMILES for 2-methyl-3-phenyl-3-(pyridin-2-ylamino)isoindol-1-one is CN1C(=O)c2ccccc2C1(Nc1ccccn1)c1ccccc1.
What is the InChIKey of 2-methyl-3-phenyl-3-(pyridin-2-ylamino)isoindol-1-one?
The InChIKey is YSSLHIGLSNEYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-23-19(24)16-11-5-6-12-17(16)20(23,15-9-3-2-4-10-15)22-18-13-7-8-14-21-18/h2-14H,1H3,(H,21,22).
What are the key properties of 2-methyl-3-phenyl-3-(pyridin-2-ylamino)isoindol-1-one?
2-methyl-3-phenyl-3-(pyridin-2-ylamino)isoindol-1-one has a molecular weight of 315.38 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-3-(pyridin-2-ylamino)isoindol-1-one is sourced from PubChem (CID 23965214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).