5,6-dimethyl-2-oxo-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-1H-pyrazine-3-carboxamide

C17H23N3O2 — CID 124906365

IUPAC5,6-dimethyl-2-oxo-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-1H-pyrazine-3-carboxamide
SMILESCc1nc(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)c(=O)[nH]c1C
InChIInChI=1S/C17H23N3O2/c1-8-9(2)19-16(21)15(18-8)17(22)20-14-7-10-6-13(14)12-5-3-4-11(10)12/h10-14H,3-7H2,1-2H3,(H,19,21)(H,20,22)/t10-,11-,12-,13+,14-/m1/s1
InChIKeyVYRIZYMLVDOHMJ-XGFWRYKXSA-N
MW301.39 g/mol
LogP1.94
Rot. Bonds2

About 5,6-dimethyl-2-oxo-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-1H-pyrazine-3-carboxamide

5,6-dimethyl-2-oxo-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-1H-pyrazine-3-carboxamide (PubChem CID 124906365) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 5,6-dimethyl-2-oxo-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound Name5,6-dimethyl-2-oxo-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-1H-pyrazine-3-carboxamide
PubChem CID124906365
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name5,6-dimethyl-2-oxo-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-1H-pyrazine-3-carboxamide
SMILESCc1nc(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)c(=O)[nH]c1C
InChIInChI=1S/C17H23N3O2/c1-8-9(2)19-16(21)15(18-8)17(22)20-14-7-10-6-13(14)12-5-3-4-11(10)12/h10-14H,3-7H2,1-2H3,(H,19,21)(H,20,22)/t10-,11-,12-,13+,14-/m1/s1
InChIKeyVYRIZYMLVDOHMJ-XGFWRYKXSA-N
XLogP1.94
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5,6-dimethyl-2-oxo-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-1H-pyrazine-3-carboxamide with MolForge

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Related Compounds

3,6-dichloro-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]pyridine-2-carboxamide
CID 124785469
3,6-dichloro-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridine-2-carboxamide
CID 42958244
3-ethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyrrolidine-3-carboxamide
CID 63139525
4-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide
CID 63121681
N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]cyclopentanecarboxamide
CID 124785473
2-tert-butyl-N-[(1S,5S)-3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 155954991
5-ethyl-2-methyl-N-[(1S,3R,5S,6R)-3-(oxane-2-carbonylamino)-6-bicyclo[3.2.0]heptanyl]-1H-imidazole-4-carboxamide
CID 167781016
2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide
CID 43700055
2-bromo-3-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 107982436
4-amino-N-[(1S,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide
CID 50909108
4-acetamido-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43063071
5,6-dimethyl-2-oxo-N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-pyrazine-3-carboxamide
CID 127974631

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-oxo-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-1H-pyrazine-3-carboxamide?
The IUPAC name of 5,6-dimethyl-2-oxo-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-1H-pyrazine-3-carboxamide (CID 124906365) is 5,6-dimethyl-2-oxo-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-1H-pyrazine-3-carboxamide.
What is the SMILES notation for 5,6-dimethyl-2-oxo-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-1H-pyrazine-3-carboxamide?
The canonical SMILES for 5,6-dimethyl-2-oxo-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-1H-pyrazine-3-carboxamide is Cc1nc(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)c(=O)[nH]c1C.
What is the InChIKey of 5,6-dimethyl-2-oxo-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-1H-pyrazine-3-carboxamide?
The InChIKey is VYRIZYMLVDOHMJ-XGFWRYKXSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-8-9(2)19-16(21)15(18-8)17(22)20-14-7-10-6-13(14)12-5-3-4-11(10)12/h10-14H,3-7H2,1-2H3,(H,19,21)(H,20,22)/t10-,11-,12-,13+,14-/m1/s1.
What are the key properties of 5,6-dimethyl-2-oxo-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-1H-pyrazine-3-carboxamide?
5,6-dimethyl-2-oxo-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-1H-pyrazine-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-oxo-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 124906365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).