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

C28H38N4O3 — CID 25271100

IUPACN-(1-adamantylmethyl)-2-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCOCC1CCN(C(=O)Cc2cn3c(C(=O)NCC45CC6CC(CC(C6)C4)C5)cccc3n2)CC1
InChIInChI=1S/C28H38N4O3/c1-35-17-19-5-7-31(8-6-19)26(33)12-23-16-32-24(3-2-4-25(32)30-23)27(34)29-18-28-13-20-9-21(14-28)11-22(10-20)15-28/h2-4,16,19-22H,5-15,17-18H2,1H3,(H,29,34)
InChIKeyRYEKOPUVVIPYAT-UHFFFAOYSA-N
MW478.64 g/mol
LogP3.71
Rot. Bonds7

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

N-(1-adamantylmethyl)-2-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide (PubChem CID 25271100) has the molecular formula C28H38N4O3 and a molecular weight of 478.64 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide
PubChem CID25271100
Molecular FormulaC28H38N4O3
Molecular Weight478.64 g/mol
Exact Mass478.29
IUPAC NameN-(1-adamantylmethyl)-2-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCOCC1CCN(C(=O)Cc2cn3c(C(=O)NCC45CC6CC(CC(C6)C4)C5)cccc3n2)CC1
InChIInChI=1S/C28H38N4O3/c1-35-17-19-5-7-31(8-6-19)26(33)12-23-16-32-24(3-2-4-25(32)30-23)27(34)29-18-28-13-20-9-21(14-28)11-22(10-20)15-28/h2-4,16,19-22H,5-15,17-18H2,1H3,(H,29,34)
InChIKeyRYEKOPUVVIPYAT-UHFFFAOYSA-N
XLogP3.71
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide
CID 77105903
Methyl 4-[[4-[[(2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonyl)amino]methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate
CID 145967487
N-cyclopropyl-4-(8-((tetrahydro-2H-pyran-4-yl)methylamino)imidazo[1,2-a]pyrazin-3-yl)benzamide
CID 50914591
N-[(4-phenylphenyl)methyl]-2-propylimidazo[1,2-a]pyridine-3-carboxamide
CID 53469009
N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide
CID 58345151
N-[[4-[2-(2-amino-3-pyridinyl)-6-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide
CID 58345169
N-benzyl-7-methyl-2-phenyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 71456438
P2X3 antagonist 34
CID 132129813
N-(1-adamantyl)-1-pentylpyrrolo[2,3-b]pyridine-2-carboxamide
CID 155515332
N-(1-adamantyl)-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide
CID 155520642
(4-(Cyclohexanecarbonyl)piperazin-1-yl)(2-methyl-3-phenyl imidazo[1,2-a]pyridin-6-yl)methanone
CID 56848369
N-(2-adamantylideneamino)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 4326647

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-2-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide (CID 25271100) is N-(1-adamantylmethyl)-2-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide is COCC1CCN(C(=O)Cc2cn3c(C(=O)NCC45CC6CC(CC(C6)C4)C5)cccc3n2)CC1.
What is the InChIKey of N-(1-adamantylmethyl)-2-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The InChIKey is RYEKOPUVVIPYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O3/c1-35-17-19-5-7-31(8-6-19)26(33)12-23-16-32-24(3-2-4-25(32)30-23)27(34)29-18-28-13-20-9-21(14-28)11-22(10-20)15-28/h2-4,16,19-22H,5-15,17-18H2,1H3,(H,29,34).
What are the key properties of N-(1-adamantylmethyl)-2-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide?
N-(1-adamantylmethyl)-2-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide has a molecular weight of 478.64 g/mol, XLogP of 3.71, 7 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-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide is sourced from PubChem (CID 25271100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).