2-ethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide

C19H21N3O2 — CID 90556284

IUPAC2-ethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
SMILESCCOc1ccccc1C(=O)NCCCn1ccc2cccnc21
InChIInChI=1S/C19H21N3O2/c1-2-24-17-9-4-3-8-16(17)19(23)21-12-6-13-22-14-10-15-7-5-11-20-18(15)22/h3-5,7-11,14H,2,6,12-13H2,1H3,(H,21,23)
InChIKeyHONQPQYORDIBOU-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.26
Rot. Bonds7

About 2-ethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide

2-ethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide (PubChem CID 90556284) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-ethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-ethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
PubChem CID90556284
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-ethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
SMILESCCOc1ccccc1C(=O)NCCCn1ccc2cccnc21
InChIInChI=1S/C19H21N3O2/c1-2-24-17-9-4-3-8-16(17)19(23)21-12-6-13-22-14-10-15-7-5-11-20-18(15)22/h3-5,7-11,14H,2,6,12-13H2,1H3,(H,21,23)
InChIKeyHONQPQYORDIBOU-UHFFFAOYSA-N
XLogP3.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethoxyphenyl)-3-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)urea
CID 90556407
3,4,5-trimethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
CID 90556292
3,5-dimethyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
CID 90556279
N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-2-carboxamide
CID 90556263
3-(2-methoxyphenyl)-1-methyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)pyrazole-5-carboxamide
CID 90556383
2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 2932757
2-ethoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide
CID 53145002
N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375
ethyl 4-pyrrolo[2,3-b]pyridin-1-ylbutanoate
CID 58803600
2-(3-methylphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)acetamide
CID 90556327
2-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 90556234
2-ethoxy-N-pent-4-ynylbenzamide
CID 103709030

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide?
The IUPAC name of 2-ethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide (CID 90556284) is 2-ethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide.
What is the SMILES notation for 2-ethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide?
The canonical SMILES for 2-ethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide is CCOc1ccccc1C(=O)NCCCn1ccc2cccnc21.
What is the InChIKey of 2-ethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide?
The InChIKey is HONQPQYORDIBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-2-24-17-9-4-3-8-16(17)19(23)21-12-6-13-22-14-10-15-7-5-11-20-18(15)22/h3-5,7-11,14H,2,6,12-13H2,1H3,(H,21,23).
What are the key properties of 2-ethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide?
2-ethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide has a molecular weight of 323.40 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide is sourced from PubChem (CID 90556284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).