3-methyl-1-(3-phenylpropyl)pyrrolo[2,3-b]pyridine

C17H18N2 — CID 70903217

IUPAC3-methyl-1-(3-phenylpropyl)pyrrolo[2,3-b]pyridine
SMILESCc1cn(CCCc2ccccc2)c2ncccc12
InChIInChI=1S/C17H18N2/c1-14-13-19(17-16(14)10-5-11-18-17)12-6-9-15-7-3-2-4-8-15/h2-5,7-8,10-11,13H,6,9,12H2,1H3
InChIKeyCHXOOZPMILUUBQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP3.98
Rot. Bonds4

About 3-methyl-1-(3-phenylpropyl)pyrrolo[2,3-b]pyridine

3-methyl-1-(3-phenylpropyl)pyrrolo[2,3-b]pyridine (PubChem CID 70903217) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-methyl-1-(3-phenylpropyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-methyl-1-(3-phenylpropyl)pyrrolo[2,3-b]pyridine
PubChem CID70903217
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name3-methyl-1-(3-phenylpropyl)pyrrolo[2,3-b]pyridine
SMILESCc1cn(CCCc2ccccc2)c2ncccc12
InChIInChI=1S/C17H18N2/c1-14-13-19(17-16(14)10-5-11-18-17)12-6-9-15-7-3-2-4-8-15/h2-5,7-8,10-11,13H,6,9,12H2,1H3
InChIKeyCHXOOZPMILUUBQ-UHFFFAOYSA-N
XLogP3.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-phenylpropyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-methyl-1-(3-phenylpropyl)pyrrolo[2,3-b]pyridine (CID 70903217) is 3-methyl-1-(3-phenylpropyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-methyl-1-(3-phenylpropyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-methyl-1-(3-phenylpropyl)pyrrolo[2,3-b]pyridine is Cc1cn(CCCc2ccccc2)c2ncccc12.
What is the InChIKey of 3-methyl-1-(3-phenylpropyl)pyrrolo[2,3-b]pyridine?
The InChIKey is CHXOOZPMILUUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-14-13-19(17-16(14)10-5-11-18-17)12-6-9-15-7-3-2-4-8-15/h2-5,7-8,10-11,13H,6,9,12H2,1H3.
What are the key properties of 3-methyl-1-(3-phenylpropyl)pyrrolo[2,3-b]pyridine?
3-methyl-1-(3-phenylpropyl)pyrrolo[2,3-b]pyridine has a molecular weight of 250.35 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-phenylpropyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 70903217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).