[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone

C17H18N2O — CID 95292486

IUPAC[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESCc1ccccc1[C@H]1CCN(C(=O)c2cccnc2)C1
InChIInChI=1S/C17H18N2O/c1-13-5-2-3-7-16(13)15-8-10-19(12-15)17(20)14-6-4-9-18-11-14/h2-7,9,11,15H,8,10,12H2,1H3/t15-/m0/s1
InChIKeyDWYCDQNWOXXULO-HNNXBMFYSA-N
MW266.34 g/mol
LogP3.02
Rot. Bonds2

About [(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone

[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 95292486) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is [(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
PubChem CID95292486
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESCc1ccccc1[C@H]1CCN(C(=O)c2cccnc2)C1
InChIInChI=1S/C17H18N2O/c1-13-5-2-3-7-16(13)15-8-10-19(12-15)17(20)14-6-4-9-18-11-14/h2-7,9,11,15H,8,10,12H2,1H3/t15-/m0/s1
InChIKeyDWYCDQNWOXXULO-HNNXBMFYSA-N
XLogP3.02
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(1H-indol-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 113088338
[3-(5-amino-3-pyridinyl)phenyl]-[3-(2-methylphenyl)piperidin-1-yl]methanone
CID 119073506
[3-(5-amino-3-pyridinyl)phenyl]-[(3S)-3-(2-methylphenyl)piperidin-1-yl]methanone
CID 126451314
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918253
(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 57017149
[(1R,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]-pyridin-3-ylmethanone
CID 98470590
[(2R)-2-(2-bromophenyl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 124571795
[3-(5-methyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 75131646
[(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 124963398
2-[3-(2-methylphenyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975828
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 110224388

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone (CID 95292486) is [(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone is Cc1ccccc1[C@H]1CCN(C(=O)c2cccnc2)C1.
What is the InChIKey of [(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is DWYCDQNWOXXULO-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-13-5-2-3-7-16(13)15-8-10-19(12-15)17(20)14-6-4-9-18-11-14/h2-7,9,11,15H,8,10,12H2,1H3/t15-/m0/s1.
What are the key properties of [(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone?
[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 266.34 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 95292486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).