3-(4-methoxyphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)propanamide

C20H23N3O2 — CID 90556350

IUPAC3-(4-methoxyphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCCn2ccc3cccnc32)cc1
InChIInChI=1S/C20H23N3O2/c1-25-18-8-5-16(6-9-18)7-10-19(24)21-13-3-14-23-15-11-17-4-2-12-22-20(17)23/h2,4-6,8-9,11-12,15H,3,7,10,13-14H2,1H3,(H,21,24)
InChIKeyAMSHJRCPZAJFHR-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.18
Rot. Bonds8

About 3-(4-methoxyphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)propanamide

3-(4-methoxyphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)propanamide (PubChem CID 90556350) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)propanamide
PubChem CID90556350
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-(4-methoxyphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCCn2ccc3cccnc32)cc1
InChIInChI=1S/C20H23N3O2/c1-25-18-8-5-16(6-9-18)7-10-19(24)21-13-3-14-23-15-11-17-4-2-12-22-20(17)23/h2,4-6,8-9,11-12,15H,3,7,10,13-14H2,1H3,(H,21,24)
InChIKeyAMSHJRCPZAJFHR-UHFFFAOYSA-N
XLogP3.18
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.18
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

2-(3-methylphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)acetamide
CID 90556327
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
3,4,5-trimethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
CID 90556292
3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide
CID 4085805
N-(3-indol-1-ylpropyl)-3-(4-methylphenyl)propanamide
CID 24554706
1-(4-ethoxyphenyl)-3-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)urea
CID 90556407
N-(3-bromopropyl)-3-(4-methoxyphenyl)propanamide
CID 43133571
2-ethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
CID 90556284
N-(5-bromopentyl)-3-(4-methoxyphenyl)propanamide
CID 107321632
1-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea
CID 60546601
3-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224410
3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 898315

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)propanamide (CID 90556350) is 3-(4-methoxyphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)propanamide is COc1ccc(CCC(=O)NCCCn2ccc3cccnc32)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)propanamide?
The InChIKey is AMSHJRCPZAJFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-25-18-8-5-16(6-9-18)7-10-19(24)21-13-3-14-23-15-11-17-4-2-12-22-20(17)23/h2,4-6,8-9,11-12,15H,3,7,10,13-14H2,1H3,(H,21,24).
What are the key properties of 3-(4-methoxyphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)propanamide?
3-(4-methoxyphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)propanamide has a molecular weight of 337.42 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)propanamide is sourced from PubChem (CID 90556350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).