(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(2-pyridin-2-ylethyl)butanamide

C20H23N3O2 — CID 71829770

IUPAC(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(2-pyridin-2-ylethyl)butanamide
SMILESCC(C)[C@@H](C(=O)NCCc1ccccn1)N1Cc2ccccc2C1=O
InChIInChI=1S/C20H23N3O2/c1-14(2)18(19(24)22-12-10-16-8-5-6-11-21-16)23-13-15-7-3-4-9-17(15)20(23)25/h3-9,11,14,18H,10,12-13H2,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyJQGIYYBEWBWYSL-SFHVURJKSA-N
MW337.42 g/mol
LogP2.42
Rot. Bonds6

About (2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(2-pyridin-2-ylethyl)butanamide

(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(2-pyridin-2-ylethyl)butanamide (PubChem CID 71829770) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(2-pyridin-2-ylethyl)butanamide.

Molecular Properties

Compound Name(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(2-pyridin-2-ylethyl)butanamide
PubChem CID71829770
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(2-pyridin-2-ylethyl)butanamide
SMILESCC(C)[C@@H](C(=O)NCCc1ccccn1)N1Cc2ccccc2C1=O
InChIInChI=1S/C20H23N3O2/c1-14(2)18(19(24)22-12-10-16-8-5-6-11-21-16)23-13-15-7-3-4-9-17(15)20(23)25/h3-9,11,14,18H,10,12-13H2,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyJQGIYYBEWBWYSL-SFHVURJKSA-N
XLogP2.42
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 97266909
3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 20905682
(2S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 129490780
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-pyridin-3-ylbutanamide
CID 29131248
2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299
2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide
CID 24698631
2-chloro-N-(2-pyridin-2-ylethyl)propanamide
CID 24692533
(2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide
CID 94025060
(2R)-N-(5-methoxypyrimidin-4-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 138017545
(2R)-N-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 92688671
(3S)-3-(3-oxo-1H-isoindol-2-yl)-N-(pyridin-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 92691128

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(2-pyridin-2-ylethyl)butanamide?
The IUPAC name of (2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(2-pyridin-2-ylethyl)butanamide (CID 71829770) is (2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(2-pyridin-2-ylethyl)butanamide.
What is the SMILES notation for (2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(2-pyridin-2-ylethyl)butanamide?
The canonical SMILES for (2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(2-pyridin-2-ylethyl)butanamide is CC(C)[C@@H](C(=O)NCCc1ccccn1)N1Cc2ccccc2C1=O.
What is the InChIKey of (2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(2-pyridin-2-ylethyl)butanamide?
The InChIKey is JQGIYYBEWBWYSL-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14(2)18(19(24)22-12-10-16-8-5-6-11-21-16)23-13-15-7-3-4-9-17(15)20(23)25/h3-9,11,14,18H,10,12-13H2,1-2H3,(H,22,24)/t18-/m0/s1.
What are the key properties of (2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(2-pyridin-2-ylethyl)butanamide?
(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(2-pyridin-2-ylethyl)butanamide has a molecular weight of 337.42 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(2-pyridin-2-ylethyl)butanamide is sourced from PubChem (CID 71829770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).