2-(2-ethylimidazol-1-yl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide

C17H24N6O2 — CID 110123789

IUPAC2-(2-ethylimidazol-1-yl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide
SMILESCCc1nccn1CC(=O)N(C)CC1(O)CCN(c2cnccn2)C1
InChIInChI=1S/C17H24N6O2/c1-3-14-20-7-9-22(14)11-16(24)21(2)12-17(25)4-8-23(13-17)15-10-18-5-6-19-15/h5-7,9-10,25H,3-4,8,11-13H2,1-2H3
InChIKeyONWMFWGXMJEPJC-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.34
Rot. Bonds6

About 2-(2-ethylimidazol-1-yl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide

2-(2-ethylimidazol-1-yl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide (PubChem CID 110123789) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide
PubChem CID110123789
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name2-(2-ethylimidazol-1-yl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide
SMILESCCc1nccn1CC(=O)N(C)CC1(O)CCN(c2cnccn2)C1
InChIInChI=1S/C17H24N6O2/c1-3-14-20-7-9-22(14)11-16(24)21(2)12-17(25)4-8-23(13-17)15-10-18-5-6-19-15/h5-7,9-10,25H,3-4,8,11-13H2,1-2H3
InChIKeyONWMFWGXMJEPJC-UHFFFAOYSA-N
XLogP0.34
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2-ethylimidazol-1-yl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide with MolForge

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Related Compounds

N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide
CID 125000869
2-(2-ethylimidazol-1-yl)-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]acetamide
CID 124944278
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 125015140
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(oxan-4-yl)acetamide
CID 110123845
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-3-(5-methylpyrazol-1-yl)propanamide
CID 110158678
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide
CID 124961883
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methylacetamide
CID 124980307
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide
CID 124973495
4-ethyl-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylbenzamide
CID 124960899
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-4-pyrazol-1-ylbutanamide
CID 124972319
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide
CID 124963098
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 110123761

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide (CID 110123789) is 2-(2-ethylimidazol-1-yl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide is CCc1nccn1CC(=O)N(C)CC1(O)CCN(c2cnccn2)C1.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide?
The InChIKey is ONWMFWGXMJEPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-3-14-20-7-9-22(14)11-16(24)21(2)12-17(25)4-8-23(13-17)15-10-18-5-6-19-15/h5-7,9-10,25H,3-4,8,11-13H2,1-2H3.
What are the key properties of 2-(2-ethylimidazol-1-yl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide?
2-(2-ethylimidazol-1-yl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide has a molecular weight of 344.42 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 110123789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).