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

C26H26N4O2 — CID 162664265

IUPAC2-(4-cyclohexylphenoxy)-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide
SMILESO=C(COc1ccc(C2CCCCC2)cc1)Nc1ccccc1-c1nc2ncccc2[nH]1
InChIInChI=1S/C26H26N4O2/c31-24(17-32-20-14-12-19(13-15-20)18-7-2-1-3-8-18)28-22-10-5-4-9-21(22)25-29-23-11-6-16-27-26(23)30-25/h4-6,9-16,18H,1-3,7-8,17H2,(H,28,31)(H,27,29,30)
InChIKeyHPWZRVZVLMTUQR-UHFFFAOYSA-N
MW426.52 g/mol
LogP5.69
Rot. Bonds6

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

2-(4-cyclohexylphenoxy)-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide (PubChem CID 162664265) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-(4-cyclohexylphenoxy)-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-cyclohexylphenoxy)-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide
PubChem CID162664265
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name2-(4-cyclohexylphenoxy)-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide
SMILESO=C(COc1ccc(C2CCCCC2)cc1)Nc1ccccc1-c1nc2ncccc2[nH]1
InChIInChI=1S/C26H26N4O2/c31-24(17-32-20-14-12-19(13-15-20)18-7-2-1-3-8-18)28-22-10-5-4-9-21(22)25-29-23-11-6-16-27-26(23)30-25/h4-6,9-16,18H,1-3,7-8,17H2,(H,28,31)(H,27,29,30)
InChIKeyHPWZRVZVLMTUQR-UHFFFAOYSA-N
XLogP5.69
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenoxy)-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide?
The IUPAC name of 2-(4-cyclohexylphenoxy)-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide (CID 162664265) is 2-(4-cyclohexylphenoxy)-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-cyclohexylphenoxy)-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-cyclohexylphenoxy)-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide is O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccccc1-c1nc2ncccc2[nH]1.
What is the InChIKey of 2-(4-cyclohexylphenoxy)-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide?
The InChIKey is HPWZRVZVLMTUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c31-24(17-32-20-14-12-19(13-15-20)18-7-2-1-3-8-18)28-22-10-5-4-9-21(22)25-29-23-11-6-16-27-26(23)30-25/h4-6,9-16,18H,1-3,7-8,17H2,(H,28,31)(H,27,29,30).
What are the key properties of 2-(4-cyclohexylphenoxy)-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide?
2-(4-cyclohexylphenoxy)-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide has a molecular weight of 426.52 g/mol, XLogP of 5.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenoxy)-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide is sourced from PubChem (CID 162664265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).