[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone

C14H20N4O — CID 129461529

IUPAC[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cnccn1
InChIInChI=1S/C14H20N4O/c1-17-8-2-4-12(17)13-5-3-9-18(13)14(19)11-10-15-6-7-16-11/h6-7,10,12-13H,2-5,8-9H2,1H3/t12-,13+/m0/s1
InChIKeyKJJVADXBLICJNG-QWHCGFSZSA-N
MW260.34 g/mol
LogP1.18
Rot. Bonds2

About [(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone

[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 129461529) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is [(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID129461529
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cnccn1
InChIInChI=1S/C14H20N4O/c1-17-8-2-4-12(17)13-5-3-9-18(13)14(19)11-10-15-6-7-16-11/h6-7,10,12-13H,2-5,8-9H2,1H3/t12-,13+/m0/s1
InChIKeyKJJVADXBLICJNG-QWHCGFSZSA-N
XLogP1.18
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminopyrazin-2-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129427472
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 95328917
pyrazin-2-yl-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 124992078
pyrazin-2-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631463
[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 129427634
[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 129427496
methyl (2R)-1-(pyrazine-2-carbonyl)piperidine-2-carboxylate
CID 79833939
[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 94475780
pyrazin-2-yl-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 110669963
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 129427982
N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide
CID 110471343
N-methyl-5-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
CID 110272277

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone (CID 129461529) is [(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone is CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cnccn1.
What is the InChIKey of [(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is KJJVADXBLICJNG-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H20N4O/c1-17-8-2-4-12(17)13-5-3-9-18(13)14(19)11-10-15-6-7-16-11/h6-7,10,12-13H,2-5,8-9H2,1H3/t12-,13+/m0/s1.
What are the key properties of [(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 260.34 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 129461529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).