[(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone

C20H19N3O — CID 94801467

IUPAC[(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC[C@H]1Cc1cccc2ccccc12
InChIInChI=1S/C20H19N3O/c24-20(19-14-21-10-11-22-19)23-12-4-8-17(23)13-16-7-3-6-15-5-1-2-9-18(15)16/h1-3,5-7,9-11,14,17H,4,8,12-13H2/t17-/m0/s1
InChIKeyRUVBRRVWOXBTLF-KRWDZBQOSA-N
MW317.39 g/mol
LogP3.48
Rot. Bonds3

About [(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone

[(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 94801467) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is [(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID94801467
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name[(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC[C@H]1Cc1cccc2ccccc12
InChIInChI=1S/C20H19N3O/c24-20(19-14-21-10-11-22-19)23-12-4-8-17(23)13-16-7-3-6-15-5-1-2-9-18(15)16/h1-3,5-7,9-11,14,17H,4,8,12-13H2/t17-/m0/s1
InChIKeyRUVBRRVWOXBTLF-KRWDZBQOSA-N
XLogP3.48
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methylpyrazin-2-yl)-[(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95156928
(5-methylpyrazin-2-yl)-[2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 49049637
3-(1-methylpyrazol-4-yl)-1-[(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 94806675
1-[2-[(2-bromophenyl)methyl]pyrrolidin-1-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethanone
CID 166342179
[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 51100049
1-[(2R)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 95283925
3-[6-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]propanoic acid
CID 110258258
2-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055471
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 79028762
(2R)-2-(naphthalen-1-ylmethyl)-N-propan-2-ylpyrrolidine-1-carbothioamide
CID 94870483
(2-benzylpyrrolidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 42940211
pyrazin-2-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631463

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone (CID 94801467) is [(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCC[C@H]1Cc1cccc2ccccc12.
What is the InChIKey of [(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is RUVBRRVWOXBTLF-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19N3O/c24-20(19-14-21-10-11-22-19)23-12-4-8-17(23)13-16-7-3-6-15-5-1-2-9-18(15)16/h1-3,5-7,9-11,14,17H,4,8,12-13H2/t17-/m0/s1.
What are the key properties of [(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
[(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 317.39 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 94801467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).