phenyl-(3-pyridin-3-yl-4-pyridin-4-ylpyrrolidin-1-yl)methanone

C21H19N3O — CID 46846380

IUPACphenyl-(3-pyridin-3-yl-4-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccccc1)N1CC(c2ccncc2)C(c2cccnc2)C1
InChIInChI=1S/C21H19N3O/c25-21(17-5-2-1-3-6-17)24-14-19(16-8-11-22-12-9-16)20(15-24)18-7-4-10-23-13-18/h1-13,19-20H,14-15H2
InChIKeyZILBSBQPPACHNN-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.50
Rot. Bonds3

About phenyl-(3-pyridin-3-yl-4-pyridin-4-ylpyrrolidin-1-yl)methanone

phenyl-(3-pyridin-3-yl-4-pyridin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 46846380) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is phenyl-(3-pyridin-3-yl-4-pyridin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Namephenyl-(3-pyridin-3-yl-4-pyridin-4-ylpyrrolidin-1-yl)methanone
PubChem CID46846380
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Namephenyl-(3-pyridin-3-yl-4-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccccc1)N1CC(c2ccncc2)C(c2cccnc2)C1
InChIInChI=1S/C21H19N3O/c25-21(17-5-2-1-3-6-17)24-14-19(16-8-11-22-12-9-16)20(15-24)18-7-4-10-23-13-18/h1-13,19-20H,14-15H2
InChIKeyZILBSBQPPACHNN-UHFFFAOYSA-N
XLogP3.50
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methyl-4-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone
CID 110868752
1-benzoyl-4-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 42680157
[(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 129416756
[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 171145045
[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 70203150
(3R,4S)-4-(4-fluorophenyl)-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 16668666
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
CID 63106557
(1-benzoyl-4-phenylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
CID 42680169
(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)-pyridin-3-ylmethanone
CID 110711424
3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone
CID 110476999
[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 110145191

Frequently Asked Questions

What is the IUPAC name of phenyl-(3-pyridin-3-yl-4-pyridin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of phenyl-(3-pyridin-3-yl-4-pyridin-4-ylpyrrolidin-1-yl)methanone (CID 46846380) is phenyl-(3-pyridin-3-yl-4-pyridin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for phenyl-(3-pyridin-3-yl-4-pyridin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for phenyl-(3-pyridin-3-yl-4-pyridin-4-ylpyrrolidin-1-yl)methanone is O=C(c1ccccc1)N1CC(c2ccncc2)C(c2cccnc2)C1.
What is the InChIKey of phenyl-(3-pyridin-3-yl-4-pyridin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is ZILBSBQPPACHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c25-21(17-5-2-1-3-6-17)24-14-19(16-8-11-22-12-9-16)20(15-24)18-7-4-10-23-13-18/h1-13,19-20H,14-15H2.
What are the key properties of phenyl-(3-pyridin-3-yl-4-pyridin-4-ylpyrrolidin-1-yl)methanone?
phenyl-(3-pyridin-3-yl-4-pyridin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 329.40 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(3-pyridin-3-yl-4-pyridin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 46846380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).