2-phenoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide

C21H19N5O2 — CID 53004144

IUPAC2-phenoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide
SMILESO=C(COc1ccccc1)NCCn1c(-c2ccncc2)nc2cccnc21
InChIInChI=1S/C21H19N5O2/c27-19(15-28-17-5-2-1-3-6-17)23-13-14-26-20(16-8-11-22-12-9-16)25-18-7-4-10-24-21(18)26/h1-12H,13-15H2,(H,23,27)
InChIKeyXDXSKHPUKSTFOY-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.69
Rot. Bonds7

About 2-phenoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide

2-phenoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide (PubChem CID 53004144) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-phenoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide
PubChem CID53004144
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name2-phenoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide
SMILESO=C(COc1ccccc1)NCCn1c(-c2ccncc2)nc2cccnc21
InChIInChI=1S/C21H19N5O2/c27-19(15-28-17-5-2-1-3-6-17)23-13-14-26-20(16-8-11-22-12-9-16)25-18-7-4-10-24-21(18)26/h1-12H,13-15H2,(H,23,27)
InChIKeyXDXSKHPUKSTFOY-UHFFFAOYSA-N
XLogP2.69
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclohexyl-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide
CID 53004141
1-(4-ethoxyphenyl)-3-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021931
3,5-dimethoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide
CID 53004139
2-(4-chlorophenyl)-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide
CID 53019826
N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]furan-2-carboxamide
CID 53021795
3,4-dimethoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide
CID 53019815
2-(3-fluorophenyl)-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide
CID 53020252
N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]pyrazine-2-carboxamide
CID 46286381
1-(3-chlorophenyl)-3-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021921
1-(2-chlorophenyl)-3-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021890
1-(2-methoxyphenyl)-3-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021888
2-phenoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]acetamide
CID 53063129

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide?
The IUPAC name of 2-phenoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide (CID 53004144) is 2-phenoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-phenoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide is O=C(COc1ccccc1)NCCn1c(-c2ccncc2)nc2cccnc21.
What is the InChIKey of 2-phenoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide?
The InChIKey is XDXSKHPUKSTFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c27-19(15-28-17-5-2-1-3-6-17)23-13-14-26-20(16-8-11-22-12-9-16)25-18-7-4-10-24-21(18)26/h1-12H,13-15H2,(H,23,27).
What are the key properties of 2-phenoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide?
2-phenoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide has a molecular weight of 373.42 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide is sourced from PubChem (CID 53004144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).