4-[(2,4-diethyl-5-methyl-3-phenylpyrrol-1-yl)methyl]pyridine

C21H24N2 — CID 67239480

IUPAC4-[(2,4-diethyl-5-methyl-3-phenylpyrrol-1-yl)methyl]pyridine
SMILESCCc1c(-c2ccccc2)c(CC)n(Cc2ccncc2)c1C
InChIInChI=1S/C21H24N2/c1-4-19-16(3)23(15-17-11-13-22-14-12-17)20(5-2)21(19)18-9-7-6-8-10-18/h6-14H,4-5,15H2,1-3H3
InChIKeyLXGNQORZEKEFBH-UHFFFAOYSA-N
MW304.44 g/mol
LogP5.03
Rot. Bonds5

About 4-[(2,4-diethyl-5-methyl-3-phenylpyrrol-1-yl)methyl]pyridine

4-[(2,4-diethyl-5-methyl-3-phenylpyrrol-1-yl)methyl]pyridine (PubChem CID 67239480) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-[(2,4-diethyl-5-methyl-3-phenylpyrrol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name4-[(2,4-diethyl-5-methyl-3-phenylpyrrol-1-yl)methyl]pyridine
PubChem CID67239480
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name4-[(2,4-diethyl-5-methyl-3-phenylpyrrol-1-yl)methyl]pyridine
SMILESCCc1c(-c2ccccc2)c(CC)n(Cc2ccncc2)c1C
InChIInChI=1S/C21H24N2/c1-4-19-16(3)23(15-17-11-13-22-14-12-17)20(5-2)21(19)18-9-7-6-8-10-18/h6-14H,4-5,15H2,1-3H3
InChIKeyLXGNQORZEKEFBH-UHFFFAOYSA-N
XLogP5.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.44
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[(2,4-diethyl-5-methyl-3-phenylpyrrol-1-yl)methyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-diethyl-5-methyl-3-phenylpyrrol-1-yl)methyl]pyridine?
The IUPAC name of 4-[(2,4-diethyl-5-methyl-3-phenylpyrrol-1-yl)methyl]pyridine (CID 67239480) is 4-[(2,4-diethyl-5-methyl-3-phenylpyrrol-1-yl)methyl]pyridine.
What is the SMILES notation for 4-[(2,4-diethyl-5-methyl-3-phenylpyrrol-1-yl)methyl]pyridine?
The canonical SMILES for 4-[(2,4-diethyl-5-methyl-3-phenylpyrrol-1-yl)methyl]pyridine is CCc1c(-c2ccccc2)c(CC)n(Cc2ccncc2)c1C.
What is the InChIKey of 4-[(2,4-diethyl-5-methyl-3-phenylpyrrol-1-yl)methyl]pyridine?
The InChIKey is LXGNQORZEKEFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c1-4-19-16(3)23(15-17-11-13-22-14-12-17)20(5-2)21(19)18-9-7-6-8-10-18/h6-14H,4-5,15H2,1-3H3.
What are the key properties of 4-[(2,4-diethyl-5-methyl-3-phenylpyrrol-1-yl)methyl]pyridine?
4-[(2,4-diethyl-5-methyl-3-phenylpyrrol-1-yl)methyl]pyridine has a molecular weight of 304.44 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-diethyl-5-methyl-3-phenylpyrrol-1-yl)methyl]pyridine is sourced from PubChem (CID 67239480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).