3-[(4S)-1-[2-(3-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide

C20H21FN4O4 — CID 91641060

IUPAC3-[(4S)-1-[2-(3-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide
SMILESCOc1ccc(NC(=O)CC[C@@H]2NC(=O)N(CCc3cccc(F)c3)C2=O)cn1
InChIInChI=1S/C20H21FN4O4/c1-29-18-8-5-15(12-22-18)23-17(26)7-6-16-19(27)25(20(28)24-16)10-9-13-3-2-4-14(21)11-13/h2-5,8,11-12,16H,6-7,9-10H2,1H3,(H,23,26)(H,24,28)/t16-/m0/s1
InChIKeyLMOLSAIXHZEHMA-INIZCTEOSA-N
MW400.41 g/mol
LogP2.11
Rot. Bonds8

About 3-[(4S)-1-[2-(3-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide

3-[(4S)-1-[2-(3-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide (PubChem CID 91641060) has the molecular formula C20H21FN4O4 and a molecular weight of 400.41 g/mol. Its IUPAC name is 3-[(4S)-1-[2-(3-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[(4S)-1-[2-(3-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide
PubChem CID91641060
Molecular FormulaC20H21FN4O4
Molecular Weight400.41 g/mol
Exact Mass400.15
IUPAC Name3-[(4S)-1-[2-(3-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide
SMILESCOc1ccc(NC(=O)CC[C@@H]2NC(=O)N(CCc3cccc(F)c3)C2=O)cn1
InChIInChI=1S/C20H21FN4O4/c1-29-18-8-5-15(12-22-18)23-17(26)7-6-16-19(27)25(20(28)24-16)10-9-13-3-2-4-14(21)11-13/h2-5,8,11-12,16H,6-7,9-10H2,1H3,(H,23,26)(H,24,28)/t16-/m0/s1
InChIKeyLMOLSAIXHZEHMA-INIZCTEOSA-N
XLogP2.11
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide
CID 124862824
3-[1-[2-(3-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 110209762
N-(3-acetamidophenyl)-3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanamide
CID 118985887
3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)propanamide
CID 91640478
3-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methyl-2-pyridinyl)propanamide
CID 124864039
3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide
CID 91820890
N-(1H-indol-6-yl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 110210099
3-[(4S)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 91639201
3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 91641278
N-(6-methoxy-3-pyridinyl)-4-phenylbutanamide
CID 52615794
3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)propanamide
CID 75357077
2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)acetamide
CID 75531634

Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-1-[2-(3-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide?
The IUPAC name of 3-[(4S)-1-[2-(3-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide (CID 91641060) is 3-[(4S)-1-[2-(3-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide.
What is the SMILES notation for 3-[(4S)-1-[2-(3-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide?
The canonical SMILES for 3-[(4S)-1-[2-(3-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide is COc1ccc(NC(=O)CC[C@@H]2NC(=O)N(CCc3cccc(F)c3)C2=O)cn1.
What is the InChIKey of 3-[(4S)-1-[2-(3-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide?
The InChIKey is LMOLSAIXHZEHMA-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21FN4O4/c1-29-18-8-5-15(12-22-18)23-17(26)7-6-16-19(27)25(20(28)24-16)10-9-13-3-2-4-14(21)11-13/h2-5,8,11-12,16H,6-7,9-10H2,1H3,(H,23,26)(H,24,28)/t16-/m0/s1.
What are the key properties of 3-[(4S)-1-[2-(3-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide?
3-[(4S)-1-[2-(3-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide has a molecular weight of 400.41 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-1-[2-(3-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide is sourced from PubChem (CID 91641060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).