6-methyl-N-[3-(2-pyridin-3-ylethynyl)-1-adamantyl]pyrazine-2-carboxamide

C23H24N4O — CID 71536957

IUPAC6-methyl-N-[3-(2-pyridin-3-ylethynyl)-1-adamantyl]pyrazine-2-carboxamide
SMILESCc1cncc(C(=O)NC23CC4CC(CC(C#Cc5cccnc5)(C4)C2)C3)n1
InChIInChI=1S/C23H24N4O/c1-16-12-25-14-20(26-16)21(28)27-23-10-18-7-19(11-23)9-22(8-18,15-23)5-4-17-3-2-6-24-13-17/h2-3,6,12-14,18-19H,7-11,15H2,1H3,(H,27,28)
InChIKeyLHOOHRUEDKJGBG-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.30
Rot. Bonds2

About 6-methyl-N-[3-(2-pyridin-3-ylethynyl)-1-adamantyl]pyrazine-2-carboxamide

6-methyl-N-[3-(2-pyridin-3-ylethynyl)-1-adamantyl]pyrazine-2-carboxamide (PubChem CID 71536957) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 6-methyl-N-[3-(2-pyridin-3-ylethynyl)-1-adamantyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[3-(2-pyridin-3-ylethynyl)-1-adamantyl]pyrazine-2-carboxamide
PubChem CID71536957
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name6-methyl-N-[3-(2-pyridin-3-ylethynyl)-1-adamantyl]pyrazine-2-carboxamide
SMILESCc1cncc(C(=O)NC23CC4CC(CC(C#Cc5cccnc5)(C4)C2)C3)n1
InChIInChI=1S/C23H24N4O/c1-16-12-25-14-20(26-16)21(28)27-23-10-18-7-19(11-23)9-22(8-18,15-23)5-4-17-3-2-6-24-13-17/h2-3,6,12-14,18-19H,7-11,15H2,1H3,(H,27,28)
InChIKeyLHOOHRUEDKJGBG-UHFFFAOYSA-N
XLogP3.30
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-(2-pyridin-3-ylethynyl)-1-adamantyl]pyrazine-2-carboxamide?
The IUPAC name of 6-methyl-N-[3-(2-pyridin-3-ylethynyl)-1-adamantyl]pyrazine-2-carboxamide (CID 71536957) is 6-methyl-N-[3-(2-pyridin-3-ylethynyl)-1-adamantyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[3-(2-pyridin-3-ylethynyl)-1-adamantyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[3-(2-pyridin-3-ylethynyl)-1-adamantyl]pyrazine-2-carboxamide is Cc1cncc(C(=O)NC23CC4CC(CC(C#Cc5cccnc5)(C4)C2)C3)n1.
What is the InChIKey of 6-methyl-N-[3-(2-pyridin-3-ylethynyl)-1-adamantyl]pyrazine-2-carboxamide?
The InChIKey is LHOOHRUEDKJGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-16-12-25-14-20(26-16)21(28)27-23-10-18-7-19(11-23)9-22(8-18,15-23)5-4-17-3-2-6-24-13-17/h2-3,6,12-14,18-19H,7-11,15H2,1H3,(H,27,28).
What are the key properties of 6-methyl-N-[3-(2-pyridin-3-ylethynyl)-1-adamantyl]pyrazine-2-carboxamide?
6-methyl-N-[3-(2-pyridin-3-ylethynyl)-1-adamantyl]pyrazine-2-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-(2-pyridin-3-ylethynyl)-1-adamantyl]pyrazine-2-carboxamide is sourced from PubChem (CID 71536957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).