3-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methyl-2-pyridinyl)propanamide

C22H26N4O5 — CID 124864039

IUPAC3-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methyl-2-pyridinyl)propanamide
SMILESCOc1ccc(CCN2C(=O)N[C@H](CCC(=O)Nc3cccc(C)n3)C2=O)cc1OC
InChIInChI=1S/C22H26N4O5/c1-14-5-4-6-19(23-14)25-20(27)10-8-16-21(28)26(22(29)24-16)12-11-15-7-9-17(30-2)18(13-15)31-3/h4-7,9,13,16H,8,10-12H2,1-3H3,(H,24,29)(H,23,25,27)/t16-/m1/s1
InChIKeyVWSMTMFGSXZBIE-MRXNPFEDSA-N
MW426.47 g/mol
LogP2.29
Rot. Bonds9

About 3-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methyl-2-pyridinyl)propanamide

3-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methyl-2-pyridinyl)propanamide (PubChem CID 124864039) has the molecular formula C22H26N4O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is 3-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methyl-2-pyridinyl)propanamide
PubChem CID124864039
Molecular FormulaC22H26N4O5
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Name3-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methyl-2-pyridinyl)propanamide
SMILESCOc1ccc(CCN2C(=O)N[C@H](CCC(=O)Nc3cccc(C)n3)C2=O)cc1OC
InChIInChI=1S/C22H26N4O5/c1-14-5-4-6-19(23-14)25-20(27)10-8-16-21(28)26(22(29)24-16)12-11-15-7-9-17(30-2)18(13-15)31-3/h4-7,9,13,16H,8,10-12H2,1-3H3,(H,24,29)(H,23,25,27)/t16-/m1/s1
InChIKeyVWSMTMFGSXZBIE-MRXNPFEDSA-N
XLogP2.29
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methyl-2-pyridinyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)propanamide
CID 75465482
3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 99870995
3-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2-dimethyloxan-4-yl)propanamide
CID 71831317
3-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide
CID 124673723
2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-propan-2-ylacetamide
CID 110210172
N-benzyl-2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 110210252
3-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-4-yl)propanamide
CID 75531635
N-benzyl-3-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75491960
2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
CID 91637557
2-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 124862585
2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 110209763
3-[(4S)-1-[2-(3-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide
CID 91641060

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methyl-2-pyridinyl)propanamide (CID 124864039) is 3-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methyl-2-pyridinyl)propanamide is COc1ccc(CCN2C(=O)N[C@H](CCC(=O)Nc3cccc(C)n3)C2=O)cc1OC.
What is the InChIKey of 3-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methyl-2-pyridinyl)propanamide?
The InChIKey is VWSMTMFGSXZBIE-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H26N4O5/c1-14-5-4-6-19(23-14)25-20(27)10-8-16-21(28)26(22(29)24-16)12-11-15-7-9-17(30-2)18(13-15)31-3/h4-7,9,13,16H,8,10-12H2,1-3H3,(H,24,29)(H,23,25,27)/t16-/m1/s1.
What are the key properties of 3-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methyl-2-pyridinyl)propanamide?
3-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methyl-2-pyridinyl)propanamide has a molecular weight of 426.47 g/mol, XLogP of 2.29, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 124864039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).