[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-(3-pyrazin-2-ylphenyl)methanone

C17H20N4O — CID 125179666

IUPAC[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-(3-pyrazin-2-ylphenyl)methanone
SMILESCN(C)[C@@H]1CCN(C(=O)c2cccc(-c3cnccn3)c2)C1
InChIInChI=1S/C17H20N4O/c1-20(2)15-6-9-21(12-15)17(22)14-5-3-4-13(10-14)16-11-18-7-8-19-16/h3-5,7-8,10-11,15H,6,9,12H2,1-2H3/t15-/m1/s1
InChIKeyYXSCDXDGOVUJFX-OAHLLOKOSA-N
MW296.37 g/mol
LogP1.92
Rot. Bonds3

About [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-(3-pyrazin-2-ylphenyl)methanone

[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-(3-pyrazin-2-ylphenyl)methanone (PubChem CID 125179666) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-(3-pyrazin-2-ylphenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-(3-pyrazin-2-ylphenyl)methanone
PubChem CID125179666
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-(3-pyrazin-2-ylphenyl)methanone
SMILESCN(C)[C@@H]1CCN(C(=O)c2cccc(-c3cnccn3)c2)C1
InChIInChI=1S/C17H20N4O/c1-20(2)15-6-9-21(12-15)17(22)14-5-3-4-13(10-14)16-11-18-7-8-19-16/h3-5,7-8,10-11,15H,6,9,12H2,1-2H3/t15-/m1/s1
InChIKeyYXSCDXDGOVUJFX-OAHLLOKOSA-N
XLogP1.92
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chloro-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63091284
5-chloro-4-[3-[3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-2-methyl-1H-pyrimidin-6-one
CID 137171605
[3-(dimethylamino)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 63858593
[3-(dimethylamino)piperidin-1-yl]-(3-iodophenyl)methanone
CID 63079570
(4-chloro-3-pyridinyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 81226397
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(6-iodo-3-pyridinyl)methanone
CID 134405988
(2-bromo-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 103752700
N-[(3R)-1-[3-[6-(dimethylamino)pyrazin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide
CID 125445185
4-[3-(dimethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175136
[3-[6-(dimethylamino)pyrimidin-4-yl]phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 119063208
acetic acid;[4-(dimethylamino)azepan-1-yl]-[3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methanone
CID 171711601
7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
CID 155953976

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-(3-pyrazin-2-ylphenyl)methanone?
The IUPAC name of [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-(3-pyrazin-2-ylphenyl)methanone (CID 125179666) is [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-(3-pyrazin-2-ylphenyl)methanone.
What is the SMILES notation for [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-(3-pyrazin-2-ylphenyl)methanone?
The canonical SMILES for [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-(3-pyrazin-2-ylphenyl)methanone is CN(C)[C@@H]1CCN(C(=O)c2cccc(-c3cnccn3)c2)C1.
What is the InChIKey of [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-(3-pyrazin-2-ylphenyl)methanone?
The InChIKey is YXSCDXDGOVUJFX-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N4O/c1-20(2)15-6-9-21(12-15)17(22)14-5-3-4-13(10-14)16-11-18-7-8-19-16/h3-5,7-8,10-11,15H,6,9,12H2,1-2H3/t15-/m1/s1.
What are the key properties of [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-(3-pyrazin-2-ylphenyl)methanone?
[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-(3-pyrazin-2-ylphenyl)methanone has a molecular weight of 296.37 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-(3-pyrazin-2-ylphenyl)methanone is sourced from PubChem (CID 125179666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).