N-(3-ethoxypropyl)-3-(4-imidazo[4,5-b]pyridin-3-ylphenyl)propanamide

C20H24N4O2 — CID 20916229

IUPACN-(3-ethoxypropyl)-3-(4-imidazo[4,5-b]pyridin-3-ylphenyl)propanamide
SMILESCCOCCCNC(=O)CCc1ccc(-n2cnc3cccnc32)cc1
InChIInChI=1S/C20H24N4O2/c1-2-26-14-4-13-21-19(25)11-8-16-6-9-17(10-7-16)24-15-23-18-5-3-12-22-20(18)24/h3,5-7,9-10,12,15H,2,4,8,11,13-14H2,1H3,(H,21,25)
InChIKeyZQUBPPDQSCSGEW-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.90
Rot. Bonds9

About N-(3-ethoxypropyl)-3-(4-imidazo[4,5-b]pyridin-3-ylphenyl)propanamide

N-(3-ethoxypropyl)-3-(4-imidazo[4,5-b]pyridin-3-ylphenyl)propanamide (PubChem CID 20916229) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-3-(4-imidazo[4,5-b]pyridin-3-ylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-3-(4-imidazo[4,5-b]pyridin-3-ylphenyl)propanamide
PubChem CID20916229
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-(3-ethoxypropyl)-3-(4-imidazo[4,5-b]pyridin-3-ylphenyl)propanamide
SMILESCCOCCCNC(=O)CCc1ccc(-n2cnc3cccnc32)cc1
InChIInChI=1S/C20H24N4O2/c1-2-26-14-4-13-21-19(25)11-8-16-6-9-17(10-7-16)24-15-23-18-5-3-12-22-20(18)24/h3,5-7,9-10,12,15H,2,4,8,11,13-14H2,1H3,(H,21,25)
InChIKeyZQUBPPDQSCSGEW-UHFFFAOYSA-N
XLogP2.90
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-(3-ethoxypropyl)-3-(4-imidazo[4,5-b]pyridin-3-ylphenyl)propanamide?
The IUPAC name of N-(3-ethoxypropyl)-3-(4-imidazo[4,5-b]pyridin-3-ylphenyl)propanamide (CID 20916229) is N-(3-ethoxypropyl)-3-(4-imidazo[4,5-b]pyridin-3-ylphenyl)propanamide.
What is the SMILES notation for N-(3-ethoxypropyl)-3-(4-imidazo[4,5-b]pyridin-3-ylphenyl)propanamide?
The canonical SMILES for N-(3-ethoxypropyl)-3-(4-imidazo[4,5-b]pyridin-3-ylphenyl)propanamide is CCOCCCNC(=O)CCc1ccc(-n2cnc3cccnc32)cc1.
What is the InChIKey of N-(3-ethoxypropyl)-3-(4-imidazo[4,5-b]pyridin-3-ylphenyl)propanamide?
The InChIKey is ZQUBPPDQSCSGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-2-26-14-4-13-21-19(25)11-8-16-6-9-17(10-7-16)24-15-23-18-5-3-12-22-20(18)24/h3,5-7,9-10,12,15H,2,4,8,11,13-14H2,1H3,(H,21,25).
What are the key properties of N-(3-ethoxypropyl)-3-(4-imidazo[4,5-b]pyridin-3-ylphenyl)propanamide?
N-(3-ethoxypropyl)-3-(4-imidazo[4,5-b]pyridin-3-ylphenyl)propanamide has a molecular weight of 352.44 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-3-(4-imidazo[4,5-b]pyridin-3-ylphenyl)propanamide is sourced from PubChem (CID 20916229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).