(2-benzylpyrrolidin-1-yl)-(5-methylpyrazin-2-yl)methanone

C17H19N3O — CID 42940211

IUPAC(2-benzylpyrrolidin-1-yl)-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCCC2Cc2ccccc2)cn1
InChIInChI=1S/C17H19N3O/c1-13-11-19-16(12-18-13)17(21)20-9-5-8-15(20)10-14-6-3-2-4-7-14/h2-4,6-7,11-12,15H,5,8-10H2,1H3
InChIKeyXYNZQGUETQTPPD-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.63
Rot. Bonds3

About (2-benzylpyrrolidin-1-yl)-(5-methylpyrazin-2-yl)methanone

(2-benzylpyrrolidin-1-yl)-(5-methylpyrazin-2-yl)methanone (PubChem CID 42940211) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (2-benzylpyrrolidin-1-yl)-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name(2-benzylpyrrolidin-1-yl)-(5-methylpyrazin-2-yl)methanone
PubChem CID42940211
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(2-benzylpyrrolidin-1-yl)-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCCC2Cc2ccccc2)cn1
InChIInChI=1S/C17H19N3O/c1-13-11-19-16(12-18-13)17(21)20-9-5-8-15(20)10-14-6-3-2-4-7-14/h2-4,6-7,11-12,15H,5,8-10H2,1H3
InChIKeyXYNZQGUETQTPPD-UHFFFAOYSA-N
XLogP2.63
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.63
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
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 62466811
[2-(2-hydroxypropyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 79552839
5-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 124698524
(5-methylpyrazin-2-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 94801465
(2-amino-1,3-thiazol-4-yl)-(2-benzylpyrrolidin-1-yl)methanone
CID 62786689
[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
CID 155929798
methyl 2-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]acetate
CID 61009273
(2-benzylpyrrolidin-1-yl)-(4-chloro-3-pyridinyl)methanone
CID 81230967
N-(2-methoxyethyl)-3-[[1-(5-methylpyrazine-2-carbonyl)pyrrolidin-2-yl]methyl]-1-benzothiophene-2-carboxamide
CID 110259917
[(2R)-2-benzylpyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 32822941

Frequently Asked Questions

What is the IUPAC name of (2-benzylpyrrolidin-1-yl)-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of (2-benzylpyrrolidin-1-yl)-(5-methylpyrazin-2-yl)methanone (CID 42940211) is (2-benzylpyrrolidin-1-yl)-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for (2-benzylpyrrolidin-1-yl)-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for (2-benzylpyrrolidin-1-yl)-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCCC2Cc2ccccc2)cn1.
What is the InChIKey of (2-benzylpyrrolidin-1-yl)-(5-methylpyrazin-2-yl)methanone?
The InChIKey is XYNZQGUETQTPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13-11-19-16(12-18-13)17(21)20-9-5-8-15(20)10-14-6-3-2-4-7-14/h2-4,6-7,11-12,15H,5,8-10H2,1H3.
What are the key properties of (2-benzylpyrrolidin-1-yl)-(5-methylpyrazin-2-yl)methanone?
(2-benzylpyrrolidin-1-yl)-(5-methylpyrazin-2-yl)methanone has a molecular weight of 281.36 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylpyrrolidin-1-yl)-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 42940211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).