[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone

C21H25N3O — CID 94810217

IUPAC[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
SMILESO=C(c1cccc(CN2CCCC2)c1)N1CCC[C@@H]1c1ccccn1
InChIInChI=1S/C21H25N3O/c25-21(24-14-6-10-20(24)19-9-1-2-11-22-19)18-8-5-7-17(15-18)16-23-12-3-4-13-23/h1-2,5,7-9,11,15,20H,3-4,6,10,12-14,16H2/t20-/m1/s1
InChIKeySDEQUNCJAYAZQK-HXUWFJFHSA-N
MW335.45 g/mol
LogP3.65
Rot. Bonds4

About [(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone

[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone (PubChem CID 94810217) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is [(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
PubChem CID94810217
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
SMILESO=C(c1cccc(CN2CCCC2)c1)N1CCC[C@@H]1c1ccccn1
InChIInChI=1S/C21H25N3O/c25-21(24-14-6-10-20(24)19-9-1-2-11-22-19)18-8-5-7-17(15-18)16-23-12-3-4-13-23/h1-2,5,7-9,11,15,20H,3-4,6,10,12-14,16H2/t20-/m1/s1
InChIKeySDEQUNCJAYAZQK-HXUWFJFHSA-N
XLogP3.65
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 47380034
[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 95603844
[1-[(3-chlorophenyl)methyl]triazol-4-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 26406283
[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 95199255
1,3-benzodioxol-5-yl-(2-pyridin-2-ylpiperidin-1-yl)methanone
CID 70759267
[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 97142527
(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 97144676
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CID 95894350
2-[(2R)-1-[3-(azepan-1-ylmethyl)benzoyl]piperidin-2-yl]acetamide
CID 28785398
2-[3-(2-pyridin-2-ylpiperidine-1-carbonyl)piperidin-1-yl]acetamide
CID 131908358
(2S)-N-[2-(piperidin-1-ylmethyl)phenyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 97278774
(2-imidazol-1-yl-4-pyridinyl)-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The IUPAC name of [(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone (CID 94810217) is [(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for [(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The canonical SMILES for [(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone is O=C(c1cccc(CN2CCCC2)c1)N1CCC[C@@H]1c1ccccn1.
What is the InChIKey of [(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The InChIKey is SDEQUNCJAYAZQK-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25N3O/c25-21(24-14-6-10-20(24)19-9-1-2-11-22-19)18-8-5-7-17(15-18)16-23-12-3-4-13-23/h1-2,5,7-9,11,15,20H,3-4,6,10,12-14,16H2/t20-/m1/s1.
What are the key properties of [(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone?
[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone has a molecular weight of 335.45 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 94810217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).