N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide

C20H23N3O3 — CID 124757117

IUPACN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
SMILESCOc1c(C)cnc(CN(C)C(=O)C[C@@H]2NC(=O)c3ccccc32)c1C
InChIInChI=1S/C20H23N3O3/c1-12-10-21-17(13(2)19(12)26-4)11-23(3)18(24)9-16-14-7-5-6-8-15(14)20(25)22-16/h5-8,10,16H,9,11H2,1-4H3,(H,22,25)/t16-/m0/s1
InChIKeyVPGWMHOOISKDDD-INIZCTEOSA-N
MW353.42 g/mol
LogP2.54
Rot. Bonds5

About N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide

N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide (PubChem CID 124757117) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
PubChem CID124757117
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
SMILESCOc1c(C)cnc(CN(C)C(=O)C[C@@H]2NC(=O)c3ccccc32)c1C
InChIInChI=1S/C20H23N3O3/c1-12-10-21-17(13(2)19(12)26-4)11-23(3)18(24)9-16-14-7-5-6-8-15(14)20(25)22-16/h5-8,10,16H,9,11H2,1-4H3,(H,22,25)/t16-/m0/s1
InChIKeyVPGWMHOOISKDDD-INIZCTEOSA-N
XLogP2.54
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide?
The IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide (CID 124757117) is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide.
What is the SMILES notation for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide?
The canonical SMILES for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide is COc1c(C)cnc(CN(C)C(=O)C[C@@H]2NC(=O)c3ccccc32)c1C.
What is the InChIKey of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide?
The InChIKey is VPGWMHOOISKDDD-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-12-10-21-17(13(2)19(12)26-4)11-23(3)18(24)9-16-14-7-5-6-8-15(14)20(25)22-16/h5-8,10,16H,9,11H2,1-4H3,(H,22,25)/t16-/m0/s1.
What are the key properties of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide?
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide has a molecular weight of 353.42 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide is sourced from PubChem (CID 124757117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).