[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone

C22H23N3O — CID 102541890

IUPAC[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
SMILESCc1ccc(C)n1-c1ccc(C2CCCN2C(=O)c2ccccc2)cn1
InChIInChI=1S/C22H23N3O/c1-16-10-11-17(2)25(16)21-13-12-19(15-23-21)20-9-6-14-24(20)22(26)18-7-4-3-5-8-18/h3-5,7-8,10-13,15,20H,6,9,14H2,1-2H3
InChIKeyYAXUZWSIHVEUGM-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.47
Rot. Bonds3

About [2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone

[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone (PubChem CID 102541890) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is [2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
PubChem CID102541890
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
SMILESCc1ccc(C)n1-c1ccc(C2CCCN2C(=O)c2ccccc2)cn1
InChIInChI=1S/C22H23N3O/c1-16-10-11-17(2)25(16)21-13-12-19(15-23-21)20-9-6-14-24(20)22(26)18-7-4-3-5-8-18/h3-5,7-8,10-13,15,20H,6,9,14H2,1-2H3
InChIKeyYAXUZWSIHVEUGM-UHFFFAOYSA-N
XLogP4.47
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

[2-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 102539784
[2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 102540166
[2-[6-(cyclopropylamino)-3-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 102540373
phenyl-[(2R)-2-quinolin-3-ylpyrrolidin-1-yl]methanone
CID 124500188
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
(5-amino-2-methyl-3-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 61039723
[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 125001597
5-(1-butylpyrrolidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine
CID 102541889
tert-butyl N-[5-(1-benzoylpiperidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate
CID 102541141
phenyl-[2-(6-sulfanylidene-1H-pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 102542015
phenyl-[(2R)-2-quinolin-6-ylpiperidin-1-yl]methanone
CID 124501089
[2-[6-(dimethylamino)-2-methyl-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 102542918

Frequently Asked Questions

What is the IUPAC name of [2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone?
The IUPAC name of [2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone (CID 102541890) is [2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone?
The canonical SMILES for [2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone is Cc1ccc(C)n1-c1ccc(C2CCCN2C(=O)c2ccccc2)cn1.
What is the InChIKey of [2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone?
The InChIKey is YAXUZWSIHVEUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-16-10-11-17(2)25(16)21-13-12-19(15-23-21)20-9-6-14-24(20)22(26)18-7-4-3-5-8-18/h3-5,7-8,10-13,15,20H,6,9,14H2,1-2H3.
What are the key properties of [2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone?
[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone has a molecular weight of 345.45 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 102541890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).