N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide

C16H20N4O — CID 10062433

IUPACN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1n[nH]c3ccccc13)C2
InChIInChI=1S/C16H20N4O/c1-20-11-6-7-12(20)9-10(8-11)17-16(21)15-13-4-2-3-5-14(13)18-19-15/h2-5,10-12H,6-9H2,1H3,(H,17,21)(H,18,19)
InChIKeyPCQJPTSZYKYPDE-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.92
Rot. Bonds2

About N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide

N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide (PubChem CID 10062433) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide
PubChem CID10062433
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1n[nH]c3ccccc13)C2
InChIInChI=1S/C16H20N4O/c1-20-11-6-7-12(20)9-10(8-11)17-16(21)15-13-4-2-3-5-14(13)18-19-15/h2-5,10-12H,6-9H2,1H3,(H,17,21)(H,18,19)
InChIKeyPCQJPTSZYKYPDE-UHFFFAOYSA-N
XLogP1.92
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide (CID 10062433) is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide is CN1C2CCC1CC(NC(=O)c1n[nH]c3ccccc13)C2.
What is the InChIKey of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide?
The InChIKey is PCQJPTSZYKYPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-20-11-6-7-12(20)9-10(8-11)17-16(21)15-13-4-2-3-5-14(13)18-19-15/h2-5,10-12H,6-9H2,1H3,(H,17,21)(H,18,19).
What are the key properties of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide?
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 10062433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).