2-[(E)-hex-2-enoxy]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide

C20H22N4O2 — CID 162662686

IUPAC2-[(E)-hex-2-enoxy]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide
SMILESCCC/C=C/COCC(=O)Nc1ccccc1-c1nc2ncccc2[nH]1
InChIInChI=1S/C20H22N4O2/c1-2-3-4-7-13-26-14-18(25)22-16-10-6-5-9-15(16)19-23-17-11-8-12-21-20(17)24-19/h4-12H,2-3,13-14H2,1H3,(H,22,25)(H,21,23,24)/b7-4+
InChIKeyPBRSEQTYGDAIAF-QPJJXVBHSA-N
MW350.42 g/mol
LogP3.94
Rot. Bonds8

About 2-[(E)-hex-2-enoxy]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide

2-[(E)-hex-2-enoxy]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide (PubChem CID 162662686) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[(E)-hex-2-enoxy]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(E)-hex-2-enoxy]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide
PubChem CID162662686
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-[(E)-hex-2-enoxy]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide
SMILESCCC/C=C/COCC(=O)Nc1ccccc1-c1nc2ncccc2[nH]1
InChIInChI=1S/C20H22N4O2/c1-2-3-4-7-13-26-14-18(25)22-16-10-6-5-9-15(16)19-23-17-11-8-12-21-20(17)24-19/h4-12H,2-3,13-14H2,1H3,(H,22,25)(H,21,23,24)/b7-4+
InChIKeyPBRSEQTYGDAIAF-QPJJXVBHSA-N
XLogP3.94
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hex-2-enoxy]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide?
The IUPAC name of 2-[(E)-hex-2-enoxy]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide (CID 162662686) is 2-[(E)-hex-2-enoxy]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(E)-hex-2-enoxy]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[(E)-hex-2-enoxy]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide is CCC/C=C/COCC(=O)Nc1ccccc1-c1nc2ncccc2[nH]1.
What is the InChIKey of 2-[(E)-hex-2-enoxy]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide?
The InChIKey is PBRSEQTYGDAIAF-QPJJXVBHSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-2-3-4-7-13-26-14-18(25)22-16-10-6-5-9-15(16)19-23-17-11-8-12-21-20(17)24-19/h4-12H,2-3,13-14H2,1H3,(H,22,25)(H,21,23,24)/b7-4+.
What are the key properties of 2-[(E)-hex-2-enoxy]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide?
2-[(E)-hex-2-enoxy]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide has a molecular weight of 350.42 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hex-2-enoxy]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide is sourced from PubChem (CID 162662686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).