3-amino-6-[1-(2-amino-2-oxoethyl)indol-6-yl]-N-(5-hydroxy-2-adamantyl)pyrazine-2-carboxamide

C25H28N6O3 — CID 176706138

IUPAC3-amino-6-[1-(2-amino-2-oxoethyl)indol-6-yl]-N-(5-hydroxy-2-adamantyl)pyrazine-2-carboxamide
SMILESNC(=O)Cn1ccc2ccc(-c3cnc(N)c(C(=O)NC4C5CC6CC4CC(O)(C6)C5)n3)cc21
InChIInChI=1S/C25H28N6O3/c26-20(32)12-31-4-3-14-1-2-15(7-19(14)31)18-11-28-23(27)22(29-18)24(33)30-21-16-5-13-6-17(21)10-25(34,8-13)9-16/h1-4,7,11,13,16-17,21,34H,5-6,8-10,12H2,(H2,26,32)(H2,27,28)(H,30,33)
InChIKeyLXIBBTODYYNVIX-UHFFFAOYSA-N
MW460.54 g/mol
LogP1.84
Rot. Bonds5

About 3-amino-6-[1-(2-amino-2-oxoethyl)indol-6-yl]-N-(5-hydroxy-2-adamantyl)pyrazine-2-carboxamide

3-amino-6-[1-(2-amino-2-oxoethyl)indol-6-yl]-N-(5-hydroxy-2-adamantyl)pyrazine-2-carboxamide (PubChem CID 176706138) has the molecular formula C25H28N6O3 and a molecular weight of 460.54 g/mol. Its IUPAC name is 3-amino-6-[1-(2-amino-2-oxoethyl)indol-6-yl]-N-(5-hydroxy-2-adamantyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[1-(2-amino-2-oxoethyl)indol-6-yl]-N-(5-hydroxy-2-adamantyl)pyrazine-2-carboxamide
PubChem CID176706138
Molecular FormulaC25H28N6O3
Molecular Weight460.54 g/mol
Exact Mass460.22
IUPAC Name3-amino-6-[1-(2-amino-2-oxoethyl)indol-6-yl]-N-(5-hydroxy-2-adamantyl)pyrazine-2-carboxamide
SMILESNC(=O)Cn1ccc2ccc(-c3cnc(N)c(C(=O)NC4C5CC6CC4CC(O)(C6)C5)n3)cc21
InChIInChI=1S/C25H28N6O3/c26-20(32)12-31-4-3-14-1-2-15(7-19(14)31)18-11-28-23(27)22(29-18)24(33)30-21-16-5-13-6-17(21)10-25(34,8-13)9-16/h1-4,7,11,13,16-17,21,34H,5-6,8-10,12H2,(H2,26,32)(H2,27,28)(H,30,33)
InChIKeyLXIBBTODYYNVIX-UHFFFAOYSA-N
XLogP1.84
TPSA149.15 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(5-hydroxy-2-adamantyl)-6-[1-(2-hydroxyethyl)indazol-6-yl]pyrazine-2-carboxamide
CID 176706136
N-(2-adamantyl)-3-amino-6-bromopyrazine-2-carboxamide
CID 121005122
1-cyclopropyl-N-(5-hydroxy-2-adamantyl)pyrazole-4-carboxamide
CID 67020981
2-chloro-N-(5-hydroxy-2-adamantyl)-4-pyrazol-1-ylpyrimidine-5-carboxamide
CID 58230437
1-tert-butyl-N-(5-hydroxy-2-adamantyl)-5-(methoxymethyl)pyrazole-4-carboxamide
CID 77168395
3-amino-N-(1-methylindol-6-yl)-6-pyridin-3-ylpyrazine-2-carboxamide
CID 130206369
N-(5-hydroxy-2-adamantyl)-1,3-dimethyl-5-(1-methylpyrrole-2-carbonyl)pyrrole-2-carboxamide
CID 56941479
N-(5-hydroxy-2-adamantyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 127037649
6-[4-(5-carbamoyl-2-pyridinyl)-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
CID 67464213
[1-(2-amino-2-oxoethyl)indol-6-yl]boronic acid
CID 176706135
2-(6-formylindol-1-yl)acetamide
CID 28958282
2-(6-carbamothioylindol-1-yl)acetamide
CID 107917375

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[1-(2-amino-2-oxoethyl)indol-6-yl]-N-(5-hydroxy-2-adamantyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[1-(2-amino-2-oxoethyl)indol-6-yl]-N-(5-hydroxy-2-adamantyl)pyrazine-2-carboxamide (CID 176706138) is 3-amino-6-[1-(2-amino-2-oxoethyl)indol-6-yl]-N-(5-hydroxy-2-adamantyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[1-(2-amino-2-oxoethyl)indol-6-yl]-N-(5-hydroxy-2-adamantyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[1-(2-amino-2-oxoethyl)indol-6-yl]-N-(5-hydroxy-2-adamantyl)pyrazine-2-carboxamide is NC(=O)Cn1ccc2ccc(-c3cnc(N)c(C(=O)NC4C5CC6CC4CC(O)(C6)C5)n3)cc21.
What is the InChIKey of 3-amino-6-[1-(2-amino-2-oxoethyl)indol-6-yl]-N-(5-hydroxy-2-adamantyl)pyrazine-2-carboxamide?
The InChIKey is LXIBBTODYYNVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3/c26-20(32)12-31-4-3-14-1-2-15(7-19(14)31)18-11-28-23(27)22(29-18)24(33)30-21-16-5-13-6-17(21)10-25(34,8-13)9-16/h1-4,7,11,13,16-17,21,34H,5-6,8-10,12H2,(H2,26,32)(H2,27,28)(H,30,33).
What are the key properties of 3-amino-6-[1-(2-amino-2-oxoethyl)indol-6-yl]-N-(5-hydroxy-2-adamantyl)pyrazine-2-carboxamide?
3-amino-6-[1-(2-amino-2-oxoethyl)indol-6-yl]-N-(5-hydroxy-2-adamantyl)pyrazine-2-carboxamide has a molecular weight of 460.54 g/mol, XLogP of 1.84, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[1-(2-amino-2-oxoethyl)indol-6-yl]-N-(5-hydroxy-2-adamantyl)pyrazine-2-carboxamide is sourced from PubChem (CID 176706138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).