2-(3-methylphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)acetamide

C19H21N3O — CID 90556327

IUPAC2-(3-methylphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)acetamide
SMILESCc1cccc(CC(=O)NCCCn2ccc3cccnc32)c1
InChIInChI=1S/C19H21N3O/c1-15-5-2-6-16(13-15)14-18(23)20-10-4-11-22-12-8-17-7-3-9-21-19(17)22/h2-3,5-9,12-13H,4,10-11,14H2,1H3,(H,20,23)
InChIKeyWUCQYCOSJYZWBS-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.09
Rot. Bonds6

About 2-(3-methylphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)acetamide

2-(3-methylphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)acetamide (PubChem CID 90556327) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)acetamide
PubChem CID90556327
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-(3-methylphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)acetamide
SMILESCc1cccc(CC(=O)NCCCn2ccc3cccnc32)c1
InChIInChI=1S/C19H21N3O/c1-15-5-2-6-16(13-15)14-18(23)20-10-4-11-22-12-8-17-7-3-9-21-19(17)22/h2-3,5-9,12-13H,4,10-11,14H2,1H3,(H,20,23)
InChIKeyWUCQYCOSJYZWBS-UHFFFAOYSA-N
XLogP3.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
CID 90556279
3-(4-methoxyphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)propanamide
CID 90556350
3,4,5-trimethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
CID 90556292
N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-2-carboxamide
CID 90556263
2-ethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
CID 90556284
2-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 90556234
1-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 90556420
2-(3-fluorophenyl)-N-(3-indol-1-ylpropyl)acetamide
CID 51165336
1-(4-ethoxyphenyl)-3-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)urea
CID 90556407
2-(3-methylphenyl)-N-quinolin-8-ylacetamide
CID 113098821
3-(2-methoxyphenyl)-1-methyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)pyrazole-5-carboxamide
CID 90556383
2-(3-methylphenyl)-N-(3-sulfamoylpropyl)acetamide
CID 62388737

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)acetamide (CID 90556327) is 2-(3-methylphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)acetamide is Cc1cccc(CC(=O)NCCCn2ccc3cccnc32)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)acetamide?
The InChIKey is WUCQYCOSJYZWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-15-5-2-6-16(13-15)14-18(23)20-10-4-11-22-12-8-17-7-3-9-21-19(17)22/h2-3,5-9,12-13H,4,10-11,14H2,1H3,(H,20,23).
What are the key properties of 2-(3-methylphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)acetamide?
2-(3-methylphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)acetamide has a molecular weight of 307.40 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)acetamide is sourced from PubChem (CID 90556327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).