2-(2,5-dimethylpyrrol-1-yl)-4-methyl-6-[2-(5-methyl-3-pyridinyl)ethyl]pyridine

C20H23N3 — CID 130472384

IUPAC2-(2,5-dimethylpyrrol-1-yl)-4-methyl-6-[2-(5-methyl-3-pyridinyl)ethyl]pyridine
SMILESCc1cncc(CCc2cc(C)cc(-n3c(C)ccc3C)n2)c1
InChIInChI=1S/C20H23N3/c1-14-10-19(8-7-18-9-15(2)12-21-13-18)22-20(11-14)23-16(3)5-6-17(23)4/h5-6,9-13H,7-8H2,1-4H3
InChIKeyIIOJOYKHNZYTNG-UHFFFAOYSA-N
MW305.43 g/mol
LogP4.29
Rot. Bonds4

About 2-(2,5-dimethylpyrrol-1-yl)-4-methyl-6-[2-(5-methyl-3-pyridinyl)ethyl]pyridine

2-(2,5-dimethylpyrrol-1-yl)-4-methyl-6-[2-(5-methyl-3-pyridinyl)ethyl]pyridine (PubChem CID 130472384) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrol-1-yl)-4-methyl-6-[2-(5-methyl-3-pyridinyl)ethyl]pyridine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrol-1-yl)-4-methyl-6-[2-(5-methyl-3-pyridinyl)ethyl]pyridine
PubChem CID130472384
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name2-(2,5-dimethylpyrrol-1-yl)-4-methyl-6-[2-(5-methyl-3-pyridinyl)ethyl]pyridine
SMILESCc1cncc(CCc2cc(C)cc(-n3c(C)ccc3C)n2)c1
InChIInChI=1S/C20H23N3/c1-14-10-19(8-7-18-9-15(2)12-21-13-18)22-20(11-14)23-16(3)5-6-17(23)4/h5-6,9-13H,7-8H2,1-4H3
InChIKeyIIOJOYKHNZYTNG-UHFFFAOYSA-N
XLogP4.29
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 54.29
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 2-(2,5-dimethylpyrrol-1-yl)-4-methyl-6-[2-(5-methyl-3-pyridinyl)ethyl]pyridine?
The IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-4-methyl-6-[2-(5-methyl-3-pyridinyl)ethyl]pyridine (CID 130472384) is 2-(2,5-dimethylpyrrol-1-yl)-4-methyl-6-[2-(5-methyl-3-pyridinyl)ethyl]pyridine.
What is the SMILES notation for 2-(2,5-dimethylpyrrol-1-yl)-4-methyl-6-[2-(5-methyl-3-pyridinyl)ethyl]pyridine?
The canonical SMILES for 2-(2,5-dimethylpyrrol-1-yl)-4-methyl-6-[2-(5-methyl-3-pyridinyl)ethyl]pyridine is Cc1cncc(CCc2cc(C)cc(-n3c(C)ccc3C)n2)c1.
What is the InChIKey of 2-(2,5-dimethylpyrrol-1-yl)-4-methyl-6-[2-(5-methyl-3-pyridinyl)ethyl]pyridine?
The InChIKey is IIOJOYKHNZYTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c1-14-10-19(8-7-18-9-15(2)12-21-13-18)22-20(11-14)23-16(3)5-6-17(23)4/h5-6,9-13H,7-8H2,1-4H3.
What are the key properties of 2-(2,5-dimethylpyrrol-1-yl)-4-methyl-6-[2-(5-methyl-3-pyridinyl)ethyl]pyridine?
2-(2,5-dimethylpyrrol-1-yl)-4-methyl-6-[2-(5-methyl-3-pyridinyl)ethyl]pyridine has a molecular weight of 305.43 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrol-1-yl)-4-methyl-6-[2-(5-methyl-3-pyridinyl)ethyl]pyridine is sourced from PubChem (CID 130472384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).