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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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).