N-(6-methyl-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide

C23H21N3O2 — CID 20905575

IUPACN-(6-methyl-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
SMILESCc1cccc(NC(=O)C(Cc2ccccc2)N2Cc3ccccc3C2=O)n1
InChIInChI=1S/C23H21N3O2/c1-16-8-7-13-21(24-16)25-22(27)20(14-17-9-3-2-4-10-17)26-15-18-11-5-6-12-19(18)23(26)28/h2-13,20H,14-15H2,1H3,(H,24,25,27)
InChIKeyJGEAMJDBUCOKJH-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.60
Rot. Bonds5

About N-(6-methyl-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide

N-(6-methyl-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide (PubChem CID 20905575) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
PubChem CID20905575
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-(6-methyl-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
SMILESCc1cccc(NC(=O)C(Cc2ccccc2)N2Cc3ccccc3C2=O)n1
InChIInChI=1S/C23H21N3O2/c1-16-8-7-13-21(24-16)25-22(27)20(14-17-9-3-2-4-10-17)26-15-18-11-5-6-12-19(18)23(26)28/h2-13,20H,14-15H2,1H3,(H,24,25,27)
InChIKeyJGEAMJDBUCOKJH-UHFFFAOYSA-N
XLogP3.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide (CID 20905575) is N-(6-methyl-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide is Cc1cccc(NC(=O)C(Cc2ccccc2)N2Cc3ccccc3C2=O)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide?
The InChIKey is JGEAMJDBUCOKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-16-8-7-13-21(24-16)25-22(27)20(14-17-9-3-2-4-10-17)26-15-18-11-5-6-12-19(18)23(26)28/h2-13,20H,14-15H2,1H3,(H,24,25,27).
What are the key properties of N-(6-methyl-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide?
N-(6-methyl-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide has a molecular weight of 371.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 20905575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).