N-[7-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-tricyclo[3.3.1.01,3]nonanyl]pyrazine-2-carboxamide

C23H24N6O2 — CID 123523886

IUPACN-[7-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-tricyclo[3.3.1.01,3]nonanyl]pyrazine-2-carboxamide
SMILESCc1ccc(-c2noc(C34CC(C)CC5(C3)CC5(NC(=O)c3cnccn3)C4)n2)cn1
InChIInChI=1S/C23H24N6O2/c1-14-7-21(20-27-18(29-31-20)16-4-3-15(2)26-9-16)11-22(8-14)13-23(22,12-21)28-19(30)17-10-24-5-6-25-17/h3-6,9-10,14H,7-8,11-13H2,1-2H3,(H,28,30)
InChIKeyXINSYXXMZCJEBF-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.25
Rot. Bonds4

About N-[7-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-tricyclo[3.3.1.01,3]nonanyl]pyrazine-2-carboxamide

N-[7-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-tricyclo[3.3.1.01,3]nonanyl]pyrazine-2-carboxamide (PubChem CID 123523886) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-[7-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-tricyclo[3.3.1.01,3]nonanyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[7-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-tricyclo[3.3.1.01,3]nonanyl]pyrazine-2-carboxamide
PubChem CID123523886
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN-[7-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-tricyclo[3.3.1.01,3]nonanyl]pyrazine-2-carboxamide
SMILESCc1ccc(-c2noc(C34CC(C)CC5(C3)CC5(NC(=O)c3cnccn3)C4)n2)cn1
InChIInChI=1S/C23H24N6O2/c1-14-7-21(20-27-18(29-31-20)16-4-3-15(2)26-9-16)11-22(8-14)13-23(22,12-21)28-19(30)17-10-24-5-6-25-17/h3-6,9-10,14H,7-8,11-13H2,1-2H3,(H,28,30)
InChIKeyXINSYXXMZCJEBF-UHFFFAOYSA-N
XLogP3.25
TPSA106.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[7-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-tricyclo[3.3.1.01,3]nonanyl]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[7-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-tricyclo[3.3.1.01,3]nonanyl]pyrazine-2-carboxamide?
The IUPAC name of N-[7-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-tricyclo[3.3.1.01,3]nonanyl]pyrazine-2-carboxamide (CID 123523886) is N-[7-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-tricyclo[3.3.1.01,3]nonanyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[7-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-tricyclo[3.3.1.01,3]nonanyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[7-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-tricyclo[3.3.1.01,3]nonanyl]pyrazine-2-carboxamide is Cc1ccc(-c2noc(C34CC(C)CC5(C3)CC5(NC(=O)c3cnccn3)C4)n2)cn1.
What is the InChIKey of N-[7-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-tricyclo[3.3.1.01,3]nonanyl]pyrazine-2-carboxamide?
The InChIKey is XINSYXXMZCJEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-14-7-21(20-27-18(29-31-20)16-4-3-15(2)26-9-16)11-22(8-14)13-23(22,12-21)28-19(30)17-10-24-5-6-25-17/h3-6,9-10,14H,7-8,11-13H2,1-2H3,(H,28,30).
What are the key properties of N-[7-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-tricyclo[3.3.1.01,3]nonanyl]pyrazine-2-carboxamide?
N-[7-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-tricyclo[3.3.1.01,3]nonanyl]pyrazine-2-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-tricyclo[3.3.1.01,3]nonanyl]pyrazine-2-carboxamide is sourced from PubChem (CID 123523886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).