2-(2-amino-2-oxoethyl)-N-[4-hydroxy-2-(4-hydroxyphenyl)pentyl]imidazo[1,2-a]pyridine-5-carboxamide

C21H24N4O4 — CID 143685759

IUPAC2-(2-amino-2-oxoethyl)-N-[4-hydroxy-2-(4-hydroxyphenyl)pentyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCC(O)CC(CNC(=O)c1cccc2nc(CC(N)=O)cn12)c1ccc(O)cc1
InChIInChI=1S/C21H24N4O4/c1-13(26)9-15(14-5-7-17(27)8-6-14)11-23-21(29)18-3-2-4-20-24-16(10-19(22)28)12-25(18)20/h2-8,12-13,15,26-27H,9-11H2,1H3,(H2,22,28)(H,23,29)
InChIKeyWRSRWGIADOPVNU-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.35
Rot. Bonds8

About 2-(2-amino-2-oxoethyl)-N-[4-hydroxy-2-(4-hydroxyphenyl)pentyl]imidazo[1,2-a]pyridine-5-carboxamide

2-(2-amino-2-oxoethyl)-N-[4-hydroxy-2-(4-hydroxyphenyl)pentyl]imidazo[1,2-a]pyridine-5-carboxamide (PubChem CID 143685759) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethyl)-N-[4-hydroxy-2-(4-hydroxyphenyl)pentyl]imidazo[1,2-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethyl)-N-[4-hydroxy-2-(4-hydroxyphenyl)pentyl]imidazo[1,2-a]pyridine-5-carboxamide
PubChem CID143685759
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name2-(2-amino-2-oxoethyl)-N-[4-hydroxy-2-(4-hydroxyphenyl)pentyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCC(O)CC(CNC(=O)c1cccc2nc(CC(N)=O)cn12)c1ccc(O)cc1
InChIInChI=1S/C21H24N4O4/c1-13(26)9-15(14-5-7-17(27)8-6-14)11-23-21(29)18-3-2-4-20-24-16(10-19(22)28)12-25(18)20/h2-8,12-13,15,26-27H,9-11H2,1H3,(H2,22,28)(H,23,29)
InChIKeyWRSRWGIADOPVNU-UHFFFAOYSA-N
XLogP1.35
TPSA129.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethyl)-N-[4-hydroxy-2-(4-hydroxyphenyl)pentyl]imidazo[1,2-a]pyridine-5-carboxamide?
The IUPAC name of 2-(2-amino-2-oxoethyl)-N-[4-hydroxy-2-(4-hydroxyphenyl)pentyl]imidazo[1,2-a]pyridine-5-carboxamide (CID 143685759) is 2-(2-amino-2-oxoethyl)-N-[4-hydroxy-2-(4-hydroxyphenyl)pentyl]imidazo[1,2-a]pyridine-5-carboxamide.
What is the SMILES notation for 2-(2-amino-2-oxoethyl)-N-[4-hydroxy-2-(4-hydroxyphenyl)pentyl]imidazo[1,2-a]pyridine-5-carboxamide?
The canonical SMILES for 2-(2-amino-2-oxoethyl)-N-[4-hydroxy-2-(4-hydroxyphenyl)pentyl]imidazo[1,2-a]pyridine-5-carboxamide is CC(O)CC(CNC(=O)c1cccc2nc(CC(N)=O)cn12)c1ccc(O)cc1.
What is the InChIKey of 2-(2-amino-2-oxoethyl)-N-[4-hydroxy-2-(4-hydroxyphenyl)pentyl]imidazo[1,2-a]pyridine-5-carboxamide?
The InChIKey is WRSRWGIADOPVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-13(26)9-15(14-5-7-17(27)8-6-14)11-23-21(29)18-3-2-4-20-24-16(10-19(22)28)12-25(18)20/h2-8,12-13,15,26-27H,9-11H2,1H3,(H2,22,28)(H,23,29).
What are the key properties of 2-(2-amino-2-oxoethyl)-N-[4-hydroxy-2-(4-hydroxyphenyl)pentyl]imidazo[1,2-a]pyridine-5-carboxamide?
2-(2-amino-2-oxoethyl)-N-[4-hydroxy-2-(4-hydroxyphenyl)pentyl]imidazo[1,2-a]pyridine-5-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 1.35, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethyl)-N-[4-hydroxy-2-(4-hydroxyphenyl)pentyl]imidazo[1,2-a]pyridine-5-carboxamide is sourced from PubChem (CID 143685759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).