N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(oxan-4-yl)acetamide

C17H26N4O3 — CID 110123845

IUPACN-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(oxan-4-yl)acetamide
SMILESCN(CC1(O)CCN(c2cnccn2)C1)C(=O)CC1CCOCC1
InChIInChI=1S/C17H26N4O3/c1-20(16(22)10-14-2-8-24-9-3-14)12-17(23)4-7-21(13-17)15-11-18-5-6-19-15/h5-6,11,14,23H,2-4,7-10,12-13H2,1H3
InChIKeyHTONUPDQCGZZEU-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.69
Rot. Bonds5

About N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(oxan-4-yl)acetamide

N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(oxan-4-yl)acetamide (PubChem CID 110123845) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(oxan-4-yl)acetamide
PubChem CID110123845
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(oxan-4-yl)acetamide
SMILESCN(CC1(O)CCN(c2cnccn2)C1)C(=O)CC1CCOCC1
InChIInChI=1S/C17H26N4O3/c1-20(16(22)10-14-2-8-24-9-3-14)12-17(23)4-7-21(13-17)15-11-18-5-6-19-15/h5-6,11,14,23H,2-4,7-10,12-13H2,1H3
InChIKeyHTONUPDQCGZZEU-UHFFFAOYSA-N
XLogP0.69
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-3-(5-methylpyrazol-1-yl)propanamide
CID 110158678
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide
CID 125000869
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methylacetamide
CID 124980307
2-(2-ethylimidazol-1-yl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide
CID 110123789
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide
CID 124961883
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 124966903
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 110158687
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 125015140
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
CID 125022017
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 110123761
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide
CID 124973495
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 124958674

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(oxan-4-yl)acetamide (CID 110123845) is N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(oxan-4-yl)acetamide is CN(CC1(O)CCN(c2cnccn2)C1)C(=O)CC1CCOCC1.
What is the InChIKey of N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(oxan-4-yl)acetamide?
The InChIKey is HTONUPDQCGZZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-20(16(22)10-14-2-8-24-9-3-14)12-17(23)4-7-21(13-17)15-11-18-5-6-19-15/h5-6,11,14,23H,2-4,7-10,12-13H2,1H3.
What are the key properties of N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(oxan-4-yl)acetamide?
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(oxan-4-yl)acetamide has a molecular weight of 334.42 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 110123845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).