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

C29H40N4O3 — CID 25271101

IUPACN-(1-adamantylmethyl)-2-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCOCCC1CCN(C(=O)Cc2cn3c(C(=O)NCC45CC6CC(CC(C6)C4)C5)cccc3n2)CC1
InChIInChI=1S/C29H40N4O3/c1-36-10-7-20-5-8-32(9-6-20)27(34)14-24-18-33-25(3-2-4-26(33)31-24)28(35)30-19-29-15-21-11-22(16-29)13-23(12-21)17-29/h2-4,18,20-23H,5-17,19H2,1H3,(H,30,35)
InChIKeyAFSKKSVCDKSIFT-UHFFFAOYSA-N
MW492.66 g/mol
LogP4.10
Rot. Bonds8

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

N-(1-adamantylmethyl)-2-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide (PubChem CID 25271101) has the molecular formula C29H40N4O3 and a molecular weight of 492.66 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide
PubChem CID25271101
Molecular FormulaC29H40N4O3
Molecular Weight492.66 g/mol
Exact Mass492.31
IUPAC NameN-(1-adamantylmethyl)-2-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCOCCC1CCN(C(=O)Cc2cn3c(C(=O)NCC45CC6CC(CC(C6)C4)C5)cccc3n2)CC1
InChIInChI=1S/C29H40N4O3/c1-36-10-7-20-5-8-32(9-6-20)27(34)14-24-18-33-25(3-2-4-26(33)31-24)28(35)30-19-29-15-21-11-22(16-29)13-23(12-21)17-29/h2-4,18,20-23H,5-17,19H2,1H3,(H,30,35)
InChIKeyAFSKKSVCDKSIFT-UHFFFAOYSA-N
XLogP4.10
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.66
LogP ≤ 54.10
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
3-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 58355573
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
1-[8-methyl-2-(morpholin-4-ylcarbonyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1-phenylcyclopentyl)methyl]methanamine
CID 16192410
N-cyclopropyl-4-[8-(oxan-4-ylmethylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 118732118
N-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
CID 127038354
N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
CID 127039167
N-[[4-methyl-1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
CID 127039169
N-[1-[(4-fluorooxan-4-yl)methyl]piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
CID 127039508
N-[[1-(3-methoxypropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
CID 127041479

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-2-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide (CID 25271101) is N-(1-adamantylmethyl)-2-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide is COCCC1CCN(C(=O)Cc2cn3c(C(=O)NCC45CC6CC(CC(C6)C4)C5)cccc3n2)CC1.
What is the InChIKey of N-(1-adamantylmethyl)-2-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The InChIKey is AFSKKSVCDKSIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4O3/c1-36-10-7-20-5-8-32(9-6-20)27(34)14-24-18-33-25(3-2-4-26(33)31-24)28(35)30-19-29-15-21-11-22(16-29)13-23(12-21)17-29/h2-4,18,20-23H,5-17,19H2,1H3,(H,30,35).
What are the key properties of N-(1-adamantylmethyl)-2-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide?
N-(1-adamantylmethyl)-2-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide has a molecular weight of 492.66 g/mol, XLogP of 4.10, 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-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide is sourced from PubChem (CID 25271101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).