2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide

C21H25N7O — CID 131902137

IUPAC2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide
SMILESCc1cccn2c(CC(=O)NC34CC5CC(C3)CC(n3ncnn3)(C5)C4)cnc12
InChIInChI=1S/C21H25N7O/c1-14-3-2-4-27-17(11-22-19(14)27)6-18(29)25-20-7-15-5-16(8-20)10-21(9-15,12-20)28-24-13-23-26-28/h2-4,11,13,15-16H,5-10,12H2,1H3,(H,25,29)
InChIKeyRMTVDASWOXBIKY-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.04
Rot. Bonds4

About 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide

2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide (PubChem CID 131902137) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide.

Molecular Properties

Compound Name2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide
PubChem CID131902137
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide
SMILESCc1cccn2c(CC(=O)NC34CC5CC(C3)CC(n3ncnn3)(C5)C4)cnc12
InChIInChI=1S/C21H25N7O/c1-14-3-2-4-27-17(11-22-19(14)27)6-18(29)25-20-7-15-5-16(8-20)10-21(9-15,12-20)28-24-13-23-26-28/h2-4,11,13,15-16H,5-10,12H2,1H3,(H,25,29)
InChIKeyRMTVDASWOXBIKY-UHFFFAOYSA-N
XLogP2.04
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide
CID 131932570
2-(2-methyl-4-oxoquinolin-1-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide
CID 131896167
3-(2-aminopyrimidin-5-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]prop-2-enamide
CID 171139595
4-[(5-methyltetrazol-1-yl)methyl]-N-[3-(tetrazol-2-yl)-1-adamantyl]benzamide
CID 131931453
4,6-dimethyl-2-oxo-N-[3-(tetrazol-2-yl)-1-adamantyl]-1H-pyridine-3-carboxamide
CID 131950060
(4S)-4,6-dimethyl-2-oxo-N-[(5R,7S)-3-(tetrazol-2-yl)-1-adamantyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 95215791
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 74236872
1-(difluoromethyl)-N-[3-(tetrazol-2-yl)-1-adamantyl]pyrazole-3-carboxamide
CID 131932557
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[3-(pyrazol-1-ylmethyl)cyclobutyl]acetamide
CID 155957610
N-(pyrimidin-5-ylmethyl)-3-(tetrazol-2-yl)adamantan-1-amine
CID 131939533
(2S)-N-[3-(tetrazol-2-yl)-1-adamantyl]piperidine-2-carboxamide;hydrochloride
CID 154913430
2-(1-methylpyrrol-3-yl)-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]acetamide
CID 45247652

Frequently Asked Questions

What is the IUPAC name of 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide?
The IUPAC name of 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide (CID 131902137) is 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide.
What is the SMILES notation for 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide?
The canonical SMILES for 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide is Cc1cccn2c(CC(=O)NC34CC5CC(C3)CC(n3ncnn3)(C5)C4)cnc12.
What is the InChIKey of 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide?
The InChIKey is RMTVDASWOXBIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c1-14-3-2-4-27-17(11-22-19(14)27)6-18(29)25-20-7-15-5-16(8-20)10-21(9-15,12-20)28-24-13-23-26-28/h2-4,11,13,15-16H,5-10,12H2,1H3,(H,25,29).
What are the key properties of 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide?
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide has a molecular weight of 391.48 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide is sourced from PubChem (CID 131902137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).