N-(1-adamantylmethyl)-2-[2-[methyl(oxolan-3-yl)amino]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide

C26H34N4O3 — CID 25271103

IUPACN-(1-adamantylmethyl)-2-[2-[methyl(oxolan-3-yl)amino]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCN(C(=O)Cc1cn2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccc2n1)C1CCOC1
InChIInChI=1S/C26H34N4O3/c1-29(21-5-6-33-15-21)24(31)10-20-14-30-22(3-2-4-23(30)28-20)25(32)27-16-26-11-17-7-18(12-26)9-19(8-17)13-26/h2-4,14,17-19,21H,5-13,15-16H2,1H3,(H,27,32)
InChIKeyIFYGKPALGOGOMM-UHFFFAOYSA-N
MW450.58 g/mol
LogP3.07
Rot. Bonds6

About N-(1-adamantylmethyl)-2-[2-[methyl(oxolan-3-yl)amino]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide

N-(1-adamantylmethyl)-2-[2-[methyl(oxolan-3-yl)amino]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide (PubChem CID 25271103) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-[2-[methyl(oxolan-3-yl)amino]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-[2-[methyl(oxolan-3-yl)amino]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide
PubChem CID25271103
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC NameN-(1-adamantylmethyl)-2-[2-[methyl(oxolan-3-yl)amino]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCN(C(=O)Cc1cn2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccc2n1)C1CCOC1
InChIInChI=1S/C26H34N4O3/c1-29(21-5-6-33-15-21)24(31)10-20-14-30-22(3-2-4-23(30)28-20)25(32)27-16-26-11-17-7-18(12-26)9-19(8-17)13-26/h2-4,14,17-19,21H,5-13,15-16H2,1H3,(H,27,32)
InChIKeyIFYGKPALGOGOMM-UHFFFAOYSA-N
XLogP3.07
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-[2-[methyl(oxolan-3-yl)amino]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-2-[2-[methyl(oxolan-3-yl)amino]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide (CID 25271103) is N-(1-adamantylmethyl)-2-[2-[methyl(oxolan-3-yl)amino]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-[2-[methyl(oxolan-3-yl)amino]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-[2-[methyl(oxolan-3-yl)amino]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide is CN(C(=O)Cc1cn2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccc2n1)C1CCOC1.
What is the InChIKey of N-(1-adamantylmethyl)-2-[2-[methyl(oxolan-3-yl)amino]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The InChIKey is IFYGKPALGOGOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-29(21-5-6-33-15-21)24(31)10-20-14-30-22(3-2-4-23(30)28-20)25(32)27-16-26-11-17-7-18(12-26)9-19(8-17)13-26/h2-4,14,17-19,21H,5-13,15-16H2,1H3,(H,27,32).
What are the key properties of N-(1-adamantylmethyl)-2-[2-[methyl(oxolan-3-yl)amino]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide?
N-(1-adamantylmethyl)-2-[2-[methyl(oxolan-3-yl)amino]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide has a molecular weight of 450.58 g/mol, XLogP of 3.07, 6 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-[methyl(oxolan-3-yl)amino]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide is sourced from PubChem (CID 25271103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).