N-[5-[cyclohexyl(ethyl)carbamoyl]-2-hydroxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide

C23H26N4O3 — CID 67002914

IUPACN-[5-[cyclohexyl(ethyl)carbamoyl]-2-hydroxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(O)c(NC(=O)c2cnc3ccccn23)c1)C1CCCCC1
InChIInChI=1S/C23H26N4O3/c1-2-26(17-8-4-3-5-9-17)23(30)16-11-12-20(28)18(14-16)25-22(29)19-15-24-21-10-6-7-13-27(19)21/h6-7,10-15,17,28H,2-5,8-9H2,1H3,(H,25,29)
InChIKeyJJYUHUDTZXMBTL-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.09
Rot. Bonds5

About N-[5-[cyclohexyl(ethyl)carbamoyl]-2-hydroxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[5-[cyclohexyl(ethyl)carbamoyl]-2-hydroxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67002914) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[5-[cyclohexyl(ethyl)carbamoyl]-2-hydroxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[cyclohexyl(ethyl)carbamoyl]-2-hydroxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67002914
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[5-[cyclohexyl(ethyl)carbamoyl]-2-hydroxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(O)c(NC(=O)c2cnc3ccccn23)c1)C1CCCCC1
InChIInChI=1S/C23H26N4O3/c1-2-26(17-8-4-3-5-9-17)23(30)16-11-12-20(28)18(14-16)25-22(29)19-15-24-21-10-6-7-13-27(19)21/h6-7,10-15,17,28H,2-5,8-9H2,1H3,(H,25,29)
InChIKeyJJYUHUDTZXMBTL-UHFFFAOYSA-N
XLogP4.09
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[cyclohexyl(ethyl)carbamoyl]-2-hydroxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[cyclohexyl(ethyl)carbamoyl]-2-hydroxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 67002914) is N-[5-[cyclohexyl(ethyl)carbamoyl]-2-hydroxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[cyclohexyl(ethyl)carbamoyl]-2-hydroxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[cyclohexyl(ethyl)carbamoyl]-2-hydroxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide is CCN(C(=O)c1ccc(O)c(NC(=O)c2cnc3ccccn23)c1)C1CCCCC1.
What is the InChIKey of N-[5-[cyclohexyl(ethyl)carbamoyl]-2-hydroxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is JJYUHUDTZXMBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-2-26(17-8-4-3-5-9-17)23(30)16-11-12-20(28)18(14-16)25-22(29)19-15-24-21-10-6-7-13-27(19)21/h6-7,10-15,17,28H,2-5,8-9H2,1H3,(H,25,29).
What are the key properties of N-[5-[cyclohexyl(ethyl)carbamoyl]-2-hydroxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[cyclohexyl(ethyl)carbamoyl]-2-hydroxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[cyclohexyl(ethyl)carbamoyl]-2-hydroxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67002914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).