N-(1-adamantylmethyl)-2-[2-(dimethylamino)ethoxymethyl]imidazo[1,2-a]pyridine-5-carboxamide

C24H34N4O2 — CID 59451911

IUPACN-(1-adamantylmethyl)-2-[2-(dimethylamino)ethoxymethyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCN(C)CCOCc1cn2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccc2n1
InChIInChI=1S/C24H34N4O2/c1-27(2)6-7-30-15-20-14-28-21(4-3-5-22(28)26-20)23(29)25-16-24-11-17-8-18(12-24)10-19(9-17)13-24/h3-5,14,17-19H,6-13,15-16H2,1-2H3,(H,25,29)
InChIKeyUMGPRXPOWACAIX-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.36
Rot. Bonds8

About N-(1-adamantylmethyl)-2-[2-(dimethylamino)ethoxymethyl]imidazo[1,2-a]pyridine-5-carboxamide

N-(1-adamantylmethyl)-2-[2-(dimethylamino)ethoxymethyl]imidazo[1,2-a]pyridine-5-carboxamide (PubChem CID 59451911) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-[2-(dimethylamino)ethoxymethyl]imidazo[1,2-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-[2-(dimethylamino)ethoxymethyl]imidazo[1,2-a]pyridine-5-carboxamide
PubChem CID59451911
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC NameN-(1-adamantylmethyl)-2-[2-(dimethylamino)ethoxymethyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCN(C)CCOCc1cn2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccc2n1
InChIInChI=1S/C24H34N4O2/c1-27(2)6-7-30-15-20-14-28-21(4-3-5-22(28)26-20)23(29)25-16-24-11-17-8-18(12-24)10-19(9-17)13-24/h3-5,14,17-19H,6-13,15-16H2,1-2H3,(H,25,29)
InChIKeyUMGPRXPOWACAIX-UHFFFAOYSA-N
XLogP3.36
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.36
H-Bond Donors ≤ 51
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 N-(1-adamantylmethyl)-2-[2-(dimethylamino)ethoxymethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-2-[2-(dimethylamino)ethoxymethyl]imidazo[1,2-a]pyridine-5-carboxamide (CID 59451911) is N-(1-adamantylmethyl)-2-[2-(dimethylamino)ethoxymethyl]imidazo[1,2-a]pyridine-5-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-[2-(dimethylamino)ethoxymethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-[2-(dimethylamino)ethoxymethyl]imidazo[1,2-a]pyridine-5-carboxamide is CN(C)CCOCc1cn2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccc2n1.
What is the InChIKey of N-(1-adamantylmethyl)-2-[2-(dimethylamino)ethoxymethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The InChIKey is UMGPRXPOWACAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-27(2)6-7-30-15-20-14-28-21(4-3-5-22(28)26-20)23(29)25-16-24-11-17-8-18(12-24)10-19(9-17)13-24/h3-5,14,17-19H,6-13,15-16H2,1-2H3,(H,25,29).
What are the key properties of N-(1-adamantylmethyl)-2-[2-(dimethylamino)ethoxymethyl]imidazo[1,2-a]pyridine-5-carboxamide?
N-(1-adamantylmethyl)-2-[2-(dimethylamino)ethoxymethyl]imidazo[1,2-a]pyridine-5-carboxamide has a molecular weight of 410.56 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-[2-(dimethylamino)ethoxymethyl]imidazo[1,2-a]pyridine-5-carboxamide is sourced from PubChem (CID 59451911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).