N-[(2-ethyl-6-methyl-4-pyridinyl)methyl]-4-[1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]benzamide

C23H27N3O3 — CID 175048550

IUPACN-[(2-ethyl-6-methyl-4-pyridinyl)methyl]-4-[1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]benzamide
SMILESCCc1cc(CNC(=O)c2ccc(C(C)[C@]3(C)CC(=O)NC3=O)cc2)cc(C)n1
InChIInChI=1S/C23H27N3O3/c1-5-19-11-16(10-14(2)25-19)13-24-21(28)18-8-6-17(7-9-18)15(3)23(4)12-20(27)26-22(23)29/h6-11,15H,5,12-13H2,1-4H3,(H,24,28)(H,26,27,29)/t15?,23-/m0/s1
InChIKeyZUAABCUELLOLCB-GMTBNIFVSA-N
MW393.49 g/mol
LogP3.04
Rot. Bonds6

About N-[(2-ethyl-6-methyl-4-pyridinyl)methyl]-4-[1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]benzamide

N-[(2-ethyl-6-methyl-4-pyridinyl)methyl]-4-[1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]benzamide (PubChem CID 175048550) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[(2-ethyl-6-methyl-4-pyridinyl)methyl]-4-[1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[(2-ethyl-6-methyl-4-pyridinyl)methyl]-4-[1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]benzamide
PubChem CID175048550
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[(2-ethyl-6-methyl-4-pyridinyl)methyl]-4-[1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]benzamide
SMILESCCc1cc(CNC(=O)c2ccc(C(C)[C@]3(C)CC(=O)NC3=O)cc2)cc(C)n1
InChIInChI=1S/C23H27N3O3/c1-5-19-11-16(10-14(2)25-19)13-24-21(28)18-8-6-17(7-9-18)15(3)23(4)12-20(27)26-22(23)29/h6-11,15H,5,12-13H2,1-4H3,(H,24,28)(H,26,27,29)/t15?,23-/m0/s1
InChIKeyZUAABCUELLOLCB-GMTBNIFVSA-N
XLogP3.04
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-[(1R)-1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]pyridine-2-carboxamide
CID 126569478
[2-[(2,6-dimethyl-4-pyridinyl)methylcarbamoyl]-5-[(1R)-1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]phenyl] methanesulfonate
CID 140772294
methyl 4-[(1R)-1-[(3R)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]benzoate;methyl 4-[(1R)-1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]benzoate
CID 160944375
3-[1-[4-[2-[(2,6-dimethyl-4-pyridinyl)oxy]ethyl]phenyl]ethyl]-3-methylpyrrolidine-2,5-dione
CID 142474472
N-[(2-ethyl-6-methyl-4-pyridinyl)methyl]-5-[(1R)-1-[(3R)-3-methyl-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-2-carboxamide
CID 126566726
N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-[(1R)-1-[(3R)-3-methyl-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-2-carboxamide
CID 123132325
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-carboxamide
CID 91946265
N-[(6-methyl-3-pyridinyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712353
N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide
CID 2671711
N-[(3,5-difluorophenyl)methyl]-4-ethylbenzamide
CID 71822308
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-fluorophenyl)methyl]benzamide
CID 108807948
N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 60918762

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-6-methyl-4-pyridinyl)methyl]-4-[1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]benzamide?
The IUPAC name of N-[(2-ethyl-6-methyl-4-pyridinyl)methyl]-4-[1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]benzamide (CID 175048550) is N-[(2-ethyl-6-methyl-4-pyridinyl)methyl]-4-[1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]benzamide.
What is the SMILES notation for N-[(2-ethyl-6-methyl-4-pyridinyl)methyl]-4-[1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]benzamide?
The canonical SMILES for N-[(2-ethyl-6-methyl-4-pyridinyl)methyl]-4-[1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]benzamide is CCc1cc(CNC(=O)c2ccc(C(C)[C@]3(C)CC(=O)NC3=O)cc2)cc(C)n1.
What is the InChIKey of N-[(2-ethyl-6-methyl-4-pyridinyl)methyl]-4-[1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]benzamide?
The InChIKey is ZUAABCUELLOLCB-GMTBNIFVSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-5-19-11-16(10-14(2)25-19)13-24-21(28)18-8-6-17(7-9-18)15(3)23(4)12-20(27)26-22(23)29/h6-11,15H,5,12-13H2,1-4H3,(H,24,28)(H,26,27,29)/t15?,23-/m0/s1.
What are the key properties of N-[(2-ethyl-6-methyl-4-pyridinyl)methyl]-4-[1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]benzamide?
N-[(2-ethyl-6-methyl-4-pyridinyl)methyl]-4-[1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]benzamide has a molecular weight of 393.49 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-6-methyl-4-pyridinyl)methyl]-4-[1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]benzamide is sourced from PubChem (CID 175048550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).