N-[(1,5-dimethylindazol-3-yl)methyl]-1-azabicyclo[2.2.2]octane-2-carboxamide

C18H24N4O — CID 138809167

IUPACN-[(1,5-dimethylindazol-3-yl)methyl]-1-azabicyclo[2.2.2]octane-2-carboxamide
SMILESCc1ccc2c(c1)c(CNC(=O)C1CC3CCN1CC3)nn2C
InChIInChI=1S/C18H24N4O/c1-12-3-4-16-14(9-12)15(20-21(16)2)11-19-18(23)17-10-13-5-7-22(17)8-6-13/h3-4,9,13,17H,5-8,10-11H2,1-2H3,(H,19,23)
InChIKeySFGFLLGQTDVIAR-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.98
Rot. Bonds3

About N-[(1,5-dimethylindazol-3-yl)methyl]-1-azabicyclo[2.2.2]octane-2-carboxamide

N-[(1,5-dimethylindazol-3-yl)methyl]-1-azabicyclo[2.2.2]octane-2-carboxamide (PubChem CID 138809167) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[(1,5-dimethylindazol-3-yl)methyl]-1-azabicyclo[2.2.2]octane-2-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylindazol-3-yl)methyl]-1-azabicyclo[2.2.2]octane-2-carboxamide
PubChem CID138809167
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[(1,5-dimethylindazol-3-yl)methyl]-1-azabicyclo[2.2.2]octane-2-carboxamide
SMILESCc1ccc2c(c1)c(CNC(=O)C1CC3CCN1CC3)nn2C
InChIInChI=1S/C18H24N4O/c1-12-3-4-16-14(9-12)15(20-21(16)2)11-19-18(23)17-10-13-5-7-22(17)8-6-13/h3-4,9,13,17H,5-8,10-11H2,1-2H3,(H,19,23)
InChIKeySFGFLLGQTDVIAR-UHFFFAOYSA-N
XLogP1.98
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylindazol-3-yl)methyl]-1-azabicyclo[2.2.2]octane-2-carboxamide?
The IUPAC name of N-[(1,5-dimethylindazol-3-yl)methyl]-1-azabicyclo[2.2.2]octane-2-carboxamide (CID 138809167) is N-[(1,5-dimethylindazol-3-yl)methyl]-1-azabicyclo[2.2.2]octane-2-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylindazol-3-yl)methyl]-1-azabicyclo[2.2.2]octane-2-carboxamide?
The canonical SMILES for N-[(1,5-dimethylindazol-3-yl)methyl]-1-azabicyclo[2.2.2]octane-2-carboxamide is Cc1ccc2c(c1)c(CNC(=O)C1CC3CCN1CC3)nn2C.
What is the InChIKey of N-[(1,5-dimethylindazol-3-yl)methyl]-1-azabicyclo[2.2.2]octane-2-carboxamide?
The InChIKey is SFGFLLGQTDVIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-12-3-4-16-14(9-12)15(20-21(16)2)11-19-18(23)17-10-13-5-7-22(17)8-6-13/h3-4,9,13,17H,5-8,10-11H2,1-2H3,(H,19,23).
What are the key properties of N-[(1,5-dimethylindazol-3-yl)methyl]-1-azabicyclo[2.2.2]octane-2-carboxamide?
N-[(1,5-dimethylindazol-3-yl)methyl]-1-azabicyclo[2.2.2]octane-2-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylindazol-3-yl)methyl]-1-azabicyclo[2.2.2]octane-2-carboxamide is sourced from PubChem (CID 138809167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).