N-(1-adamantylmethyl)-2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]imidazo[1,2-a]pyridine-5-carboxamide

C25H36N4O2 — CID 70862574

IUPACN-(1-adamantylmethyl)-2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCC(C)N(CCO)Cc1cn2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccc2n1
InChIInChI=1S/C25H36N4O2/c1-17(2)28(6-7-30)14-21-15-29-22(4-3-5-23(29)27-21)24(31)26-16-25-11-18-8-19(12-25)10-20(9-18)13-25/h3-5,15,17-20,30H,6-14,16H2,1-2H3,(H,26,31)
InChIKeyMPIZMPAUHXAHQO-UHFFFAOYSA-N
MW424.59 g/mol
LogP3.48
Rot. Bonds8

About N-(1-adamantylmethyl)-2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]imidazo[1,2-a]pyridine-5-carboxamide

N-(1-adamantylmethyl)-2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]imidazo[1,2-a]pyridine-5-carboxamide (PubChem CID 70862574) has the molecular formula C25H36N4O2 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]imidazo[1,2-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]imidazo[1,2-a]pyridine-5-carboxamide
PubChem CID70862574
Molecular FormulaC25H36N4O2
Molecular Weight424.59 g/mol
Exact Mass424.28
IUPAC NameN-(1-adamantylmethyl)-2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCC(C)N(CCO)Cc1cn2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccc2n1
InChIInChI=1S/C25H36N4O2/c1-17(2)28(6-7-30)14-21-15-29-22(4-3-5-23(29)27-21)24(31)26-16-25-11-18-8-19(12-25)10-20(9-18)13-25/h3-5,15,17-20,30H,6-14,16H2,1-2H3,(H,26,31)
InChIKeyMPIZMPAUHXAHQO-UHFFFAOYSA-N
XLogP3.48
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]imidazo[1,2-a]pyridine-5-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]imidazo[1,2-a]pyridine-5-carboxamide (CID 70862574) is N-(1-adamantylmethyl)-2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]imidazo[1,2-a]pyridine-5-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]imidazo[1,2-a]pyridine-5-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]imidazo[1,2-a]pyridine-5-carboxamide is CC(C)N(CCO)Cc1cn2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccc2n1.
What is the InChIKey of N-(1-adamantylmethyl)-2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]imidazo[1,2-a]pyridine-5-carboxamide?
The InChIKey is MPIZMPAUHXAHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O2/c1-17(2)28(6-7-30)14-21-15-29-22(4-3-5-23(29)27-21)24(31)26-16-25-11-18-8-19(12-25)10-20(9-18)13-25/h3-5,15,17-20,30H,6-14,16H2,1-2H3,(H,26,31).
What are the key properties of N-(1-adamantylmethyl)-2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]imidazo[1,2-a]pyridine-5-carboxamide?
N-(1-adamantylmethyl)-2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]imidazo[1,2-a]pyridine-5-carboxamide has a molecular weight of 424.59 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]imidazo[1,2-a]pyridine-5-carboxamide is sourced from PubChem (CID 70862574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).