2-N-(2-propoxyethyl)-5-N-[(2,3,3-trimethylcyclohexyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide

C24H36N4O3 — CID 143685725

IUPAC2-N-(2-propoxyethyl)-5-N-[(2,3,3-trimethylcyclohexyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide
SMILESCCCOCCNC(=O)c1cn2c(C(=O)NCC3CCCC(C)(C)C3C)cccc2n1
InChIInChI=1S/C24H36N4O3/c1-5-13-31-14-12-25-22(29)19-16-28-20(9-6-10-21(28)27-19)23(30)26-15-18-8-7-11-24(3,4)17(18)2/h6,9-10,16-18H,5,7-8,11-15H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyUXNRQXCSEPMCTO-UHFFFAOYSA-N
MW428.58 g/mol
LogP3.68
Rot. Bonds9

About 2-N-(2-propoxyethyl)-5-N-[(2,3,3-trimethylcyclohexyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide

2-N-(2-propoxyethyl)-5-N-[(2,3,3-trimethylcyclohexyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide (PubChem CID 143685725) has the molecular formula C24H36N4O3 and a molecular weight of 428.58 g/mol. Its IUPAC name is 2-N-(2-propoxyethyl)-5-N-[(2,3,3-trimethylcyclohexyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-propoxyethyl)-5-N-[(2,3,3-trimethylcyclohexyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide
PubChem CID143685725
Molecular FormulaC24H36N4O3
Molecular Weight428.58 g/mol
Exact Mass428.28
IUPAC Name2-N-(2-propoxyethyl)-5-N-[(2,3,3-trimethylcyclohexyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide
SMILESCCCOCCNC(=O)c1cn2c(C(=O)NCC3CCCC(C)(C)C3C)cccc2n1
InChIInChI=1S/C24H36N4O3/c1-5-13-31-14-12-25-22(29)19-16-28-20(9-6-10-21(28)27-19)23(30)26-15-18-8-7-11-24(3,4)17(18)2/h6,9-10,16-18H,5,7-8,11-15H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyUXNRQXCSEPMCTO-UHFFFAOYSA-N
XLogP3.68
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-propoxyethyl)-5-N-[(2,3,3-trimethylcyclohexyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N-(2-propoxyethyl)-5-N-[(2,3,3-trimethylcyclohexyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide (CID 143685725) is 2-N-(2-propoxyethyl)-5-N-[(2,3,3-trimethylcyclohexyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N-(2-propoxyethyl)-5-N-[(2,3,3-trimethylcyclohexyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N-(2-propoxyethyl)-5-N-[(2,3,3-trimethylcyclohexyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide is CCCOCCNC(=O)c1cn2c(C(=O)NCC3CCCC(C)(C)C3C)cccc2n1.
What is the InChIKey of 2-N-(2-propoxyethyl)-5-N-[(2,3,3-trimethylcyclohexyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide?
The InChIKey is UXNRQXCSEPMCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O3/c1-5-13-31-14-12-25-22(29)19-16-28-20(9-6-10-21(28)27-19)23(30)26-15-18-8-7-11-24(3,4)17(18)2/h6,9-10,16-18H,5,7-8,11-15H2,1-4H3,(H,25,29)(H,26,30).
What are the key properties of 2-N-(2-propoxyethyl)-5-N-[(2,3,3-trimethylcyclohexyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide?
2-N-(2-propoxyethyl)-5-N-[(2,3,3-trimethylcyclohexyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide has a molecular weight of 428.58 g/mol, XLogP of 3.68, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-propoxyethyl)-5-N-[(2,3,3-trimethylcyclohexyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 143685725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).