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

C18H19N3O2 — CID 29131248

IUPAC(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-pyridin-3-ylbutanamide
SMILESCC(C)[C@@H](C(=O)Nc1cccnc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C18H19N3O2/c1-12(2)16(17(22)20-14-7-5-9-19-10-14)21-11-13-6-3-4-8-15(13)18(21)23/h3-10,12,16H,11H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyMCVZMIKLTSUDCN-INIZCTEOSA-N
MW309.37 g/mol
LogP2.70
Rot. Bonds4

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

(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-pyridin-3-ylbutanamide (PubChem CID 29131248) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-pyridin-3-ylbutanamide
PubChem CID29131248
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-pyridin-3-ylbutanamide
SMILESCC(C)[C@@H](C(=O)Nc1cccnc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C18H19N3O2/c1-12(2)16(17(22)20-14-7-5-9-19-10-14)21-11-13-6-3-4-8-15(13)18(21)23/h3-10,12,16H,11H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyMCVZMIKLTSUDCN-INIZCTEOSA-N
XLogP2.70
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-fluorophenyl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 92688661
(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(3-propanoylphenyl)butanamide
CID 146107614
(2R)-N-(5-methoxypyrimidin-4-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 138017545
(2S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 129490780
(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(2-pyridin-2-ylethyl)butanamide
CID 71829770
(2S)-N-(3-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92688866
N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 20906050
3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 20905682
3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-3-ylbutanamide
CID 4911365
ethyl 2-[2-[[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 29135372
(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
N-(5-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 20906112

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-pyridin-3-ylbutanamide?
The IUPAC name of (2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-pyridin-3-ylbutanamide (CID 29131248) is (2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-pyridin-3-ylbutanamide.
What is the SMILES notation for (2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-pyridin-3-ylbutanamide?
The canonical SMILES for (2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-pyridin-3-ylbutanamide is CC(C)[C@@H](C(=O)Nc1cccnc1)N1Cc2ccccc2C1=O.
What is the InChIKey of (2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-pyridin-3-ylbutanamide?
The InChIKey is MCVZMIKLTSUDCN-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12(2)16(17(22)20-14-7-5-9-19-10-14)21-11-13-6-3-4-8-15(13)18(21)23/h3-10,12,16H,11H2,1-2H3,(H,20,22)/t16-/m0/s1.
What are the key properties of (2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-pyridin-3-ylbutanamide?
(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-pyridin-3-ylbutanamide has a molecular weight of 309.37 g/mol, XLogP of 2.70, 4 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-pyridin-3-ylbutanamide is sourced from PubChem (CID 29131248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).