3-anilino-2-pyridin-2-yl-3H-isoindol-1-one

C19H15N3O — CID 20854974

IUPAC3-anilino-2-pyridin-2-yl-3H-isoindol-1-one
SMILESO=C1c2ccccc2C(Nc2ccccc2)N1c1ccccn1
InChIInChI=1S/C19H15N3O/c23-19-16-11-5-4-10-15(16)18(21-14-8-2-1-3-9-14)22(19)17-12-6-7-13-20-17/h1-13,18,21H
InChIKeySEXDLZMBDSAXTM-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.85
Rot. Bonds3

About 3-anilino-2-pyridin-2-yl-3H-isoindol-1-one

3-anilino-2-pyridin-2-yl-3H-isoindol-1-one (PubChem CID 20854974) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-anilino-2-pyridin-2-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name3-anilino-2-pyridin-2-yl-3H-isoindol-1-one
PubChem CID20854974
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name3-anilino-2-pyridin-2-yl-3H-isoindol-1-one
SMILESO=C1c2ccccc2C(Nc2ccccc2)N1c1ccccn1
InChIInChI=1S/C19H15N3O/c23-19-16-11-5-4-10-15(16)18(21-14-8-2-1-3-9-14)22(19)17-12-6-7-13-20-17/h1-13,18,21H
InChIKeySEXDLZMBDSAXTM-UHFFFAOYSA-N
XLogP3.85
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-2-pyridin-2-yl-3H-isoindol-1-one?
The IUPAC name of 3-anilino-2-pyridin-2-yl-3H-isoindol-1-one (CID 20854974) is 3-anilino-2-pyridin-2-yl-3H-isoindol-1-one.
What is the SMILES notation for 3-anilino-2-pyridin-2-yl-3H-isoindol-1-one?
The canonical SMILES for 3-anilino-2-pyridin-2-yl-3H-isoindol-1-one is O=C1c2ccccc2C(Nc2ccccc2)N1c1ccccn1.
What is the InChIKey of 3-anilino-2-pyridin-2-yl-3H-isoindol-1-one?
The InChIKey is SEXDLZMBDSAXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c23-19-16-11-5-4-10-15(16)18(21-14-8-2-1-3-9-14)22(19)17-12-6-7-13-20-17/h1-13,18,21H.
What are the key properties of 3-anilino-2-pyridin-2-yl-3H-isoindol-1-one?
3-anilino-2-pyridin-2-yl-3H-isoindol-1-one has a molecular weight of 301.35 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-2-pyridin-2-yl-3H-isoindol-1-one is sourced from PubChem (CID 20854974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).