(5-methylpyrazin-2-yl)-[(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]methanone

C21H21N3O — CID 95156928

IUPAC(5-methylpyrazin-2-yl)-[(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CCC[C@H]2Cc2cccc3ccccc23)cn1
InChIInChI=1S/C21H21N3O/c1-15-13-23-20(14-22-15)21(25)24-11-5-9-18(24)12-17-8-4-7-16-6-2-3-10-19(16)17/h2-4,6-8,10,13-14,18H,5,9,11-12H2,1H3/t18-/m0/s1
InChIKeyQSPZARBMSYXPEM-SFHVURJKSA-N
MW331.42 g/mol
LogP3.79
Rot. Bonds3

About (5-methylpyrazin-2-yl)-[(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]methanone

(5-methylpyrazin-2-yl)-[(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 95156928) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)-[(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)-[(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID95156928
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name(5-methylpyrazin-2-yl)-[(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CCC[C@H]2Cc2cccc3ccccc23)cn1
InChIInChI=1S/C21H21N3O/c1-15-13-23-20(14-22-15)21(25)24-11-5-9-18(24)12-17-8-4-7-16-6-2-3-10-19(16)17/h2-4,6-8,10,13-14,18H,5,9,11-12H2,1H3/t18-/m0/s1
InChIKeyQSPZARBMSYXPEM-SFHVURJKSA-N
XLogP3.79
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methylpyrazin-2-yl)-[2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 49049637
[(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 94801467
(2-benzylpyrrolidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 42940211
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 62466811
N-(2-methoxyethyl)-3-[[1-(5-methylpyrazine-2-carbonyl)pyrrolidin-2-yl]methyl]-1-benzothiophene-2-carboxamide
CID 110259917
3-(1-methylpyrazol-4-yl)-1-[(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 94806675
[2-(2-hydroxypropyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 79552839
(5-methylpyrazin-2-yl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 175652174
methyl 2-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]acetate
CID 61009273
(2R)-2-(naphthalen-1-ylmethyl)-N-propan-2-ylpyrrolidine-1-carbothioamide
CID 94870483
[2-(2-methylimidazo[1,2-a]pyridin-5-yl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 110110411
(5-methylpyrazin-2-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 94801465

Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazin-2-yl)-[(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-methylpyrazin-2-yl)-[(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 95156928) is (5-methylpyrazin-2-yl)-[(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-methylpyrazin-2-yl)-[(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-methylpyrazin-2-yl)-[(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]methanone is Cc1cnc(C(=O)N2CCC[C@H]2Cc2cccc3ccccc23)cn1.
What is the InChIKey of (5-methylpyrazin-2-yl)-[(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is QSPZARBMSYXPEM-SFHVURJKSA-N. The full InChI is InChI=1S/C21H21N3O/c1-15-13-23-20(14-22-15)21(25)24-11-5-9-18(24)12-17-8-4-7-16-6-2-3-10-19(16)17/h2-4,6-8,10,13-14,18H,5,9,11-12H2,1H3/t18-/m0/s1.
What are the key properties of (5-methylpyrazin-2-yl)-[(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]methanone?
(5-methylpyrazin-2-yl)-[(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 331.42 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazin-2-yl)-[(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95156928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).