5-(1-butylpyrrolidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine

C19H27N3 — CID 102541889

IUPAC5-(1-butylpyrrolidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine
SMILESCCCCN1CCCC1c1ccc(-n2c(C)ccc2C)nc1
InChIInChI=1S/C19H27N3/c1-4-5-12-21-13-6-7-18(21)17-10-11-19(20-14-17)22-15(2)8-9-16(22)3/h8-11,14,18H,4-7,12-13H2,1-3H3
InChIKeyJRBUHRDFRPTAPR-UHFFFAOYSA-N
MW297.45 g/mol
LogP4.43
Rot. Bonds5

About 5-(1-butylpyrrolidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine

5-(1-butylpyrrolidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine (PubChem CID 102541889) has the molecular formula C19H27N3 and a molecular weight of 297.45 g/mol. Its IUPAC name is 5-(1-butylpyrrolidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine.

Molecular Properties

Compound Name5-(1-butylpyrrolidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine
PubChem CID102541889
Molecular FormulaC19H27N3
Molecular Weight297.45 g/mol
Exact Mass297.22
IUPAC Name5-(1-butylpyrrolidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine
SMILESCCCCN1CCCC1c1ccc(-n2c(C)ccc2C)nc1
InChIInChI=1S/C19H27N3/c1-4-5-12-21-13-6-7-18(21)17-10-11-19(20-14-17)22-15(2)8-9-16(22)3/h8-11,14,18H,4-7,12-13H2,1-3H3
InChIKeyJRBUHRDFRPTAPR-UHFFFAOYSA-N
XLogP4.43
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 54.43
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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Frequently Asked Questions

What is the IUPAC name of 5-(1-butylpyrrolidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine?
The IUPAC name of 5-(1-butylpyrrolidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine (CID 102541889) is 5-(1-butylpyrrolidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine.
What is the SMILES notation for 5-(1-butylpyrrolidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine?
The canonical SMILES for 5-(1-butylpyrrolidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine is CCCCN1CCCC1c1ccc(-n2c(C)ccc2C)nc1.
What is the InChIKey of 5-(1-butylpyrrolidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine?
The InChIKey is JRBUHRDFRPTAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3/c1-4-5-12-21-13-6-7-18(21)17-10-11-19(20-14-17)22-15(2)8-9-16(22)3/h8-11,14,18H,4-7,12-13H2,1-3H3.
What are the key properties of 5-(1-butylpyrrolidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine?
5-(1-butylpyrrolidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine has a molecular weight of 297.45 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butylpyrrolidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine is sourced from PubChem (CID 102541889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).