1-(5-hydroxypentyl)-N-(2-phenylpropan-2-yl)pyrrolo[2,3-b]pyridine-3-carboxamide

C22H27N3O2 — CID 155549576

IUPAC1-(5-hydroxypentyl)-N-(2-phenylpropan-2-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCC(C)(NC(=O)c1cn(CCCCCO)c2ncccc12)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-22(2,17-10-5-3-6-11-17)24-21(27)19-16-25(14-7-4-8-15-26)20-18(19)12-9-13-23-20/h3,5-6,9-13,16,26H,4,7-8,14-15H2,1-2H3,(H,24,27)
InChIKeyFYNDDROBTGISEJ-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.86
Rot. Bonds8

About 1-(5-hydroxypentyl)-N-(2-phenylpropan-2-yl)pyrrolo[2,3-b]pyridine-3-carboxamide

1-(5-hydroxypentyl)-N-(2-phenylpropan-2-yl)pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 155549576) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-(5-hydroxypentyl)-N-(2-phenylpropan-2-yl)pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(5-hydroxypentyl)-N-(2-phenylpropan-2-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID155549576
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-(5-hydroxypentyl)-N-(2-phenylpropan-2-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCC(C)(NC(=O)c1cn(CCCCCO)c2ncccc12)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-22(2,17-10-5-3-6-11-17)24-21(27)19-16-25(14-7-4-8-15-26)20-18(19)12-9-13-23-20/h3,5-6,9-13,16,26H,4,7-8,14-15H2,1-2H3,(H,24,27)
InChIKeyFYNDDROBTGISEJ-UHFFFAOYSA-N
XLogP3.86
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxypentyl)-N-(2-phenylpropan-2-yl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 1-(5-hydroxypentyl)-N-(2-phenylpropan-2-yl)pyrrolo[2,3-b]pyridine-3-carboxamide (CID 155549576) is 1-(5-hydroxypentyl)-N-(2-phenylpropan-2-yl)pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-(5-hydroxypentyl)-N-(2-phenylpropan-2-yl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 1-(5-hydroxypentyl)-N-(2-phenylpropan-2-yl)pyrrolo[2,3-b]pyridine-3-carboxamide is CC(C)(NC(=O)c1cn(CCCCCO)c2ncccc12)c1ccccc1.
What is the InChIKey of 1-(5-hydroxypentyl)-N-(2-phenylpropan-2-yl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is FYNDDROBTGISEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-22(2,17-10-5-3-6-11-17)24-21(27)19-16-25(14-7-4-8-15-26)20-18(19)12-9-13-23-20/h3,5-6,9-13,16,26H,4,7-8,14-15H2,1-2H3,(H,24,27).
What are the key properties of 1-(5-hydroxypentyl)-N-(2-phenylpropan-2-yl)pyrrolo[2,3-b]pyridine-3-carboxamide?
1-(5-hydroxypentyl)-N-(2-phenylpropan-2-yl)pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxypentyl)-N-(2-phenylpropan-2-yl)pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 155549576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).