N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide

C16H22N6O2 — CID 125000869

IUPACN-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide
SMILESCN(C[C@]1(O)CCN(c2cnccn2)C1)C(=O)CCn1ccnc1
InChIInChI=1S/C16H22N6O2/c1-20(15(23)2-7-21-9-6-18-13-21)11-16(24)3-8-22(12-16)14-10-17-4-5-19-14/h4-6,9-10,13,24H,2-3,7-8,11-12H2,1H3/t16-/m1/s1
InChIKeyRYXGINBMTWDOHM-MRXNPFEDSA-N
MW330.39 g/mol
LogP0.16
Rot. Bonds6

About N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide

N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide (PubChem CID 125000869) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide.

Molecular Properties

Compound NameN-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide
PubChem CID125000869
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC NameN-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide
SMILESCN(C[C@]1(O)CCN(c2cnccn2)C1)C(=O)CCn1ccnc1
InChIInChI=1S/C16H22N6O2/c1-20(15(23)2-7-21-9-6-18-13-21)11-16(24)3-8-22(12-16)14-10-17-4-5-19-14/h4-6,9-10,13,24H,2-3,7-8,11-12H2,1H3/t16-/m1/s1
InChIKeyRYXGINBMTWDOHM-MRXNPFEDSA-N
XLogP0.16
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide with MolForge

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Related Compounds

N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide
CID 124973495
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]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 125015140
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-4-pyrazol-1-ylbutanamide
CID 124972319
2-(2-ethylimidazol-1-yl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide
CID 110123789
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(oxan-4-yl)acetamide
CID 110123845
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-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 110123503
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4-imidazol-1-ylbutanamide
CID 124965049
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,5-dimethyl-1,2-oxazole-3-carboxamide
CID 124966903

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide?
The IUPAC name of N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide (CID 125000869) is N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide.
What is the SMILES notation for N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide?
The canonical SMILES for N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide is CN(C[C@]1(O)CCN(c2cnccn2)C1)C(=O)CCn1ccnc1.
What is the InChIKey of N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide?
The InChIKey is RYXGINBMTWDOHM-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-20(15(23)2-7-21-9-6-18-13-21)11-16(24)3-8-22(12-16)14-10-17-4-5-19-14/h4-6,9-10,13,24H,2-3,7-8,11-12H2,1H3/t16-/m1/s1.
What are the key properties of N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide?
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide has a molecular weight of 330.39 g/mol, XLogP of 0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide is sourced from PubChem (CID 125000869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).