N,N-dimethyl-2-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]acetamide

C12H18N4O — CID 95841666

IUPACN,N-dimethyl-2-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCC[C@H]1c1cnccn1
InChIInChI=1S/C12H18N4O/c1-15(2)12(17)9-16-7-3-4-11(16)10-8-13-5-6-14-10/h5-6,8,11H,3-4,7,9H2,1-2H3/t11-/m0/s1
InChIKeyMRRLCQTXGIOQNC-NSHDSACASA-N
MW234.30 g/mol
LogP0.70
Rot. Bonds3

About N,N-dimethyl-2-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]acetamide

N,N-dimethyl-2-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]acetamide (PubChem CID 95841666) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]acetamide
PubChem CID95841666
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN,N-dimethyl-2-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCC[C@H]1c1cnccn1
InChIInChI=1S/C12H18N4O/c1-15(2)12(17)9-16-7-3-4-11(16)10-8-13-5-6-14-10/h5-6,8,11H,3-4,7,9H2,1-2H3/t11-/m0/s1
InChIKeyMRRLCQTXGIOQNC-NSHDSACASA-N
XLogP0.70
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide
CID 110097688
N,N-dimethyl-2-[(2R)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide
CID 124971029
N,N-dimethyl-2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]acetamide
CID 95817458
4-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]benzoic acid
CID 124946594
2-[(2S)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-N,N-dimethylacetamide
CID 95838700
1-(2-pyrazin-2-ylpyrrolidin-1-yl)propan-1-one
CID 73439555
2-[(2S)-2-pyrazin-2-ylpiperidin-1-yl]ethanol
CID 95842061
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 73440222
1-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]cyclohexan-1-ol
CID 124999609
3-[(2-pyrazin-2-ylpyrrolidin-1-yl)methyl]benzoic acid
CID 110103100
pyrazin-2-yl-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 124992078
1-(2-pyrazin-2-ylpiperidin-1-yl)ethanone
CID 73438981

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]acetamide (CID 95841666) is N,N-dimethyl-2-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]acetamide is CN(C)C(=O)CN1CCC[C@H]1c1cnccn1.
What is the InChIKey of N,N-dimethyl-2-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]acetamide?
The InChIKey is MRRLCQTXGIOQNC-NSHDSACASA-N. The full InChI is InChI=1S/C12H18N4O/c1-15(2)12(17)9-16-7-3-4-11(16)10-8-13-5-6-14-10/h5-6,8,11H,3-4,7,9H2,1-2H3/t11-/m0/s1.
What are the key properties of N,N-dimethyl-2-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]acetamide?
N,N-dimethyl-2-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]acetamide has a molecular weight of 234.30 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95841666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).