N-[(1R)-1-(1-adamantyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide

C20H26N4O2 — CID 9355818

IUPACN-[(1R)-1-(1-adamantyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide
SMILESC[C@@H](NC(=O)COc1nnc2ccccn12)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H26N4O2/c1-13(20-9-14-6-15(10-20)8-16(7-14)11-20)21-18(25)12-26-19-23-22-17-4-2-3-5-24(17)19/h2-5,13-16H,6-12H2,1H3,(H,21,25)/t13-,14?,15?,16?,20?/m1/s1
InChIKeyNZVNIXCOJSMHDE-XXWNAHEMSA-N
MW354.45 g/mol
LogP2.83
Rot. Bonds5

About N-[(1R)-1-(1-adamantyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide

N-[(1R)-1-(1-adamantyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide (PubChem CID 9355818) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(1R)-1-(1-adamantyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-adamantyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide
PubChem CID9355818
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[(1R)-1-(1-adamantyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide
SMILESC[C@@H](NC(=O)COc1nnc2ccccn12)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H26N4O2/c1-13(20-9-14-6-15(10-20)8-16(7-14)11-20)21-18(25)12-26-19-23-22-17-4-2-3-5-24(17)19/h2-5,13-16H,6-12H2,1H3,(H,21,25)/t13-,14?,15?,16?,20?/m1/s1
InChIKeyNZVNIXCOJSMHDE-XXWNAHEMSA-N
XLogP2.83
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide?
The IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide (CID 9355818) is N-[(1R)-1-(1-adamantyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide.
What is the SMILES notation for N-[(1R)-1-(1-adamantyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide?
The canonical SMILES for N-[(1R)-1-(1-adamantyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide is C[C@@H](NC(=O)COc1nnc2ccccn12)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1R)-1-(1-adamantyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide?
The InChIKey is NZVNIXCOJSMHDE-XXWNAHEMSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-13(20-9-14-6-15(10-20)8-16(7-14)11-20)21-18(25)12-26-19-23-22-17-4-2-3-5-24(17)19/h2-5,13-16H,6-12H2,1H3,(H,21,25)/t13-,14?,15?,16?,20?/m1/s1.
What are the key properties of N-[(1R)-1-(1-adamantyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide?
N-[(1R)-1-(1-adamantyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-adamantyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide is sourced from PubChem (CID 9355818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).