(3R)-N-(4-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-thiophen-2-ylpropanamide

C21H19N3O2S — CID 92722970

IUPAC(3R)-N-(4-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-thiophen-2-ylpropanamide
SMILESCc1ccnc(NC(=O)C[C@H](c2cccs2)N2Cc3ccccc3C2=O)c1
InChIInChI=1S/C21H19N3O2S/c1-14-8-9-22-19(11-14)23-20(25)12-17(18-7-4-10-27-18)24-13-15-5-2-3-6-16(15)21(24)26/h2-11,17H,12-13H2,1H3,(H,22,23,25)/t17-/m1/s1
InChIKeyYZEXLVGEEOGOJV-QGZVFWFLSA-N
MW377.47 g/mol
LogP4.18
Rot. Bonds5

About (3R)-N-(4-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-thiophen-2-ylpropanamide

(3R)-N-(4-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-thiophen-2-ylpropanamide (PubChem CID 92722970) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is (3R)-N-(4-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(3R)-N-(4-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-thiophen-2-ylpropanamide
PubChem CID92722970
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name(3R)-N-(4-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-thiophen-2-ylpropanamide
SMILESCc1ccnc(NC(=O)C[C@H](c2cccs2)N2Cc3ccccc3C2=O)c1
InChIInChI=1S/C21H19N3O2S/c1-14-8-9-22-19(11-14)23-20(25)12-17(18-7-4-10-27-18)24-13-15-5-2-3-6-16(15)21(24)26/h2-11,17H,12-13H2,1H3,(H,22,23,25)/t17-/m1/s1
InChIKeyYZEXLVGEEOGOJV-QGZVFWFLSA-N
XLogP4.18
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(4-ethoxy-3-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92723076
2-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)-3H-isoindol-1-one
CID 46278052
3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 46278131
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 46277980
3-amino-N-(4-methyl-2-pyridinyl)butanamide
CID 83618224
(3R)-N-(2-methoxyphenyl)-3-(4-methylphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92691321
(3S)-3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 92690878
(3S)-3-(4-ethoxy-3-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92723043
(3S)-3-(4-methylphenyl)-N-(3-nitrophenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92691290
(3S)-3-(3-oxo-1H-isoindol-2-yl)-N-(pyridin-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 92691128
N-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 46277902
(3R)-N-(3,4-dimethylphenyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 92691209

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-thiophen-2-ylpropanamide?
The IUPAC name of (3R)-N-(4-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-thiophen-2-ylpropanamide (CID 92722970) is (3R)-N-(4-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (3R)-N-(4-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for (3R)-N-(4-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-thiophen-2-ylpropanamide is Cc1ccnc(NC(=O)C[C@H](c2cccs2)N2Cc3ccccc3C2=O)c1.
What is the InChIKey of (3R)-N-(4-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-thiophen-2-ylpropanamide?
The InChIKey is YZEXLVGEEOGOJV-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-14-8-9-22-19(11-14)23-20(25)12-17(18-7-4-10-27-18)24-13-15-5-2-3-6-16(15)21(24)26/h2-11,17H,12-13H2,1H3,(H,22,23,25)/t17-/m1/s1.
What are the key properties of (3R)-N-(4-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-thiophen-2-ylpropanamide?
(3R)-N-(4-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-thiophen-2-ylpropanamide has a molecular weight of 377.47 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 92722970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).