(2,6-diphenyl-4-pyridinyl)-[(2S)-pyrrolidin-2-yl]methanone

C22H20N2O — CID 174970018

IUPAC(2,6-diphenyl-4-pyridinyl)-[(2S)-pyrrolidin-2-yl]methanone
SMILESO=C(c1cc(-c2ccccc2)nc(-c2ccccc2)c1)[C@@H]1CCCN1
InChIInChI=1S/C22H20N2O/c25-22(19-12-7-13-23-19)18-14-20(16-8-3-1-4-9-16)24-21(15-18)17-10-5-2-6-11-17/h1-6,8-11,14-15,19,23H,7,12-13H2/t19-/m0/s1
InChIKeyYZTOYDGQLVUXBC-IBGZPJMESA-N
MW328.42 g/mol
LogP4.35
Rot. Bonds4

About (2,6-diphenyl-4-pyridinyl)-[(2S)-pyrrolidin-2-yl]methanone

(2,6-diphenyl-4-pyridinyl)-[(2S)-pyrrolidin-2-yl]methanone (PubChem CID 174970018) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is (2,6-diphenyl-4-pyridinyl)-[(2S)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(2,6-diphenyl-4-pyridinyl)-[(2S)-pyrrolidin-2-yl]methanone
PubChem CID174970018
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name(2,6-diphenyl-4-pyridinyl)-[(2S)-pyrrolidin-2-yl]methanone
SMILESO=C(c1cc(-c2ccccc2)nc(-c2ccccc2)c1)[C@@H]1CCCN1
InChIInChI=1S/C22H20N2O/c25-22(19-12-7-13-23-19)18-14-20(16-8-3-1-4-9-16)24-21(15-18)17-10-5-2-6-11-17/h1-6,8-11,14-15,19,23H,7,12-13H2/t19-/m0/s1
InChIKeyYZTOYDGQLVUXBC-IBGZPJMESA-N
XLogP4.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl(piperidin-2-yl)methanone
CID 19772085
phenyl-[(2S)-pyrrolidin-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 21080202
azetidin-2-yl(phenyl)methanone
CID 84651225
N-(2-phenyl-4-pyridinyl)pyrrolidine-2-carboxamide
CID 119877635
(6-methylnaphthalen-2-yl)-pyrrolidin-2-ylmethanone
CID 116916835
(4-bromophenyl)-[(2S)-pyrrolidin-2-yl]methanone
CID 42076627
(3,5-dimethylphenyl)-piperidin-2-ylmethanone
CID 82285234
(3,4-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanone
CID 42076609
(4-phenylmethoxyphenyl)-pyrrolidin-2-ylmethanone
CID 82550160
bicyclo[2.2.0]hexa-1,3,5-triene;pyrrolidine-2-carboxylic acid
CID 70124841
(2R)-N-(3,5-diphenylphenyl)pyrrolidine-2-carboxamide
CID 121274963
(2S)-N-(3-phenyl-1,2-oxazol-5-yl)piperidine-2-carboxamide
CID 58564068

Frequently Asked Questions

What is the IUPAC name of (2,6-diphenyl-4-pyridinyl)-[(2S)-pyrrolidin-2-yl]methanone?
The IUPAC name of (2,6-diphenyl-4-pyridinyl)-[(2S)-pyrrolidin-2-yl]methanone (CID 174970018) is (2,6-diphenyl-4-pyridinyl)-[(2S)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for (2,6-diphenyl-4-pyridinyl)-[(2S)-pyrrolidin-2-yl]methanone?
The canonical SMILES for (2,6-diphenyl-4-pyridinyl)-[(2S)-pyrrolidin-2-yl]methanone is O=C(c1cc(-c2ccccc2)nc(-c2ccccc2)c1)[C@@H]1CCCN1.
What is the InChIKey of (2,6-diphenyl-4-pyridinyl)-[(2S)-pyrrolidin-2-yl]methanone?
The InChIKey is YZTOYDGQLVUXBC-IBGZPJMESA-N. The full InChI is InChI=1S/C22H20N2O/c25-22(19-12-7-13-23-19)18-14-20(16-8-3-1-4-9-16)24-21(15-18)17-10-5-2-6-11-17/h1-6,8-11,14-15,19,23H,7,12-13H2/t19-/m0/s1.
What are the key properties of (2,6-diphenyl-4-pyridinyl)-[(2S)-pyrrolidin-2-yl]methanone?
(2,6-diphenyl-4-pyridinyl)-[(2S)-pyrrolidin-2-yl]methanone has a molecular weight of 328.42 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diphenyl-4-pyridinyl)-[(2S)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 174970018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).