N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridin-3-ylindole-3-carboxamide

C22H24N4O2 — CID 134814151

IUPACN-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridin-3-ylindole-3-carboxamide
SMILESCN1C2COCC1CC(NC(=O)c1cn(-c3cccnc3)c3ccccc13)C2
InChIInChI=1S/C22H24N4O2/c1-25-17-9-15(10-18(25)14-28-13-17)24-22(27)20-12-26(16-5-4-8-23-11-16)21-7-3-2-6-19(20)21/h2-8,11-12,15,17-18H,9-10,13-14H2,1H3,(H,24,27)
InChIKeyROJSPDPQNBFHIU-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.62
Rot. Bonds3

About N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridin-3-ylindole-3-carboxamide

N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridin-3-ylindole-3-carboxamide (PubChem CID 134814151) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridin-3-ylindole-3-carboxamide.

Molecular Properties

Compound NameN-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridin-3-ylindole-3-carboxamide
PubChem CID134814151
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridin-3-ylindole-3-carboxamide
SMILESCN1C2COCC1CC(NC(=O)c1cn(-c3cccnc3)c3ccccc13)C2
InChIInChI=1S/C22H24N4O2/c1-25-17-9-15(10-18(25)14-28-13-17)24-22(27)20-12-26(16-5-4-8-23-11-16)21-7-3-2-6-19(20)21/h2-8,11-12,15,17-18H,9-10,13-14H2,1H3,(H,24,27)
InChIKeyROJSPDPQNBFHIU-UHFFFAOYSA-N
XLogP2.62
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridin-3-ylindole-3-carboxamide?
The IUPAC name of N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridin-3-ylindole-3-carboxamide (CID 134814151) is N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridin-3-ylindole-3-carboxamide.
What is the SMILES notation for N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridin-3-ylindole-3-carboxamide?
The canonical SMILES for N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridin-3-ylindole-3-carboxamide is CN1C2COCC1CC(NC(=O)c1cn(-c3cccnc3)c3ccccc13)C2.
What is the InChIKey of N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridin-3-ylindole-3-carboxamide?
The InChIKey is ROJSPDPQNBFHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-25-17-9-15(10-18(25)14-28-13-17)24-22(27)20-12-26(16-5-4-8-23-11-16)21-7-3-2-6-19(20)21/h2-8,11-12,15,17-18H,9-10,13-14H2,1H3,(H,24,27).
What are the key properties of N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridin-3-ylindole-3-carboxamide?
N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridin-3-ylindole-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridin-3-ylindole-3-carboxamide is sourced from PubChem (CID 134814151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).