N-(1-adamantylmethyl)-2-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide

C27H36N4O3 — CID 25271435

IUPACN-(1-adamantylmethyl)-2-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCOC1CCN(C(=O)Cc2cn3c(C(=O)NCC45CC6CC(CC(C6)C4)C5)cccc3n2)CC1
InChIInChI=1S/C27H36N4O3/c1-34-22-5-7-30(8-6-22)25(32)12-21-16-31-23(3-2-4-24(31)29-21)26(33)28-17-27-13-18-9-19(14-27)11-20(10-18)15-27/h2-4,16,18-20,22H,5-15,17H2,1H3,(H,28,33)
InChIKeyIBCMDNHPQLVLCS-UHFFFAOYSA-N
MW464.61 g/mol
LogP3.46
Rot. Bonds6

About N-(1-adamantylmethyl)-2-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide

N-(1-adamantylmethyl)-2-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide (PubChem CID 25271435) has the molecular formula C27H36N4O3 and a molecular weight of 464.61 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide
PubChem CID25271435
Molecular FormulaC27H36N4O3
Molecular Weight464.61 g/mol
Exact Mass464.28
IUPAC NameN-(1-adamantylmethyl)-2-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCOC1CCN(C(=O)Cc2cn3c(C(=O)NCC45CC6CC(CC(C6)C4)C5)cccc3n2)CC1
InChIInChI=1S/C27H36N4O3/c1-34-22-5-7-30(8-6-22)25(32)12-21-16-31-23(3-2-4-24(31)29-21)26(33)28-17-27-13-18-9-19(14-27)11-20(10-18)15-27/h2-4,16,18-20,22H,5-15,17H2,1H3,(H,28,33)
InChIKeyIBCMDNHPQLVLCS-UHFFFAOYSA-N
XLogP3.46
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 53.46
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-(4-methoxypiperidin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-2-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide (CID 25271435) is N-(1-adamantylmethyl)-2-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide is COC1CCN(C(=O)Cc2cn3c(C(=O)NCC45CC6CC(CC(C6)C4)C5)cccc3n2)CC1.
What is the InChIKey of N-(1-adamantylmethyl)-2-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The InChIKey is IBCMDNHPQLVLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O3/c1-34-22-5-7-30(8-6-22)25(32)12-21-16-31-23(3-2-4-24(31)29-21)26(33)28-17-27-13-18-9-19(14-27)11-20(10-18)15-27/h2-4,16,18-20,22H,5-15,17H2,1H3,(H,28,33).
What are the key properties of N-(1-adamantylmethyl)-2-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide?
N-(1-adamantylmethyl)-2-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide has a molecular weight of 464.61 g/mol, XLogP of 3.46, 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-(4-methoxypiperidin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide is sourced from PubChem (CID 25271435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).