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

C22H19N3O2 — CID 92688345

IUPAC(2R)-N-(6-methyl-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
SMILESCc1cccc(NC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)n1
InChIInChI=1S/C22H19N3O2/c1-15-8-7-13-19(23-15)24-21(26)20(16-9-3-2-4-10-16)25-14-17-11-5-6-12-18(17)22(25)27/h2-13,20H,14H2,1H3,(H,23,24,26)/t20-/m1/s1
InChIKeyUHFFMVVIQANFQL-HXUWFJFHSA-N
MW357.41 g/mol
LogP3.73
Rot. Bonds4

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

(2R)-N-(6-methyl-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide (PubChem CID 92688345) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2R)-N-(6-methyl-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(6-methyl-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
PubChem CID92688345
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name(2R)-N-(6-methyl-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
SMILESCc1cccc(NC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)n1
InChIInChI=1S/C22H19N3O2/c1-15-8-7-13-19(23-15)24-21(26)20(16-9-3-2-4-10-16)25-14-17-11-5-6-12-18(17)22(25)27/h2-13,20H,14H2,1H3,(H,23,24,26)/t20-/m1/s1
InChIKeyUHFFMVVIQANFQL-HXUWFJFHSA-N
XLogP3.73
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(6-methyl-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide?
The IUPAC name of (2R)-N-(6-methyl-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide (CID 92688345) is (2R)-N-(6-methyl-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(6-methyl-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide?
The canonical SMILES for (2R)-N-(6-methyl-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide is Cc1cccc(NC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)n1.
What is the InChIKey of (2R)-N-(6-methyl-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide?
The InChIKey is UHFFMVVIQANFQL-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-15-8-7-13-19(23-15)24-21(26)20(16-9-3-2-4-10-16)25-14-17-11-5-6-12-18(17)22(25)27/h2-13,20H,14H2,1H3,(H,23,24,26)/t20-/m1/s1.
What are the key properties of (2R)-N-(6-methyl-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide?
(2R)-N-(6-methyl-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide has a molecular weight of 357.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(6-methyl-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide is sourced from PubChem (CID 92688345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).