1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylindole-3-carboxamide

C23H26N4O — CID 70107495

IUPAC1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylindole-3-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1c(-c3cccnc3)n(C)c3ccccc13)C2
InChIInChI=1S/C23H26N4O/c1-26-17-9-10-18(26)13-16(12-17)25-23(28)21-19-7-3-4-8-20(19)27(2)22(21)15-6-5-11-24-14-15/h3-8,11,14,16-18H,9-10,12-13H2,1-2H3,(H,25,28)
InChIKeyJPIKBIANOBQHOY-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.60
Rot. Bonds3

About 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylindole-3-carboxamide

1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylindole-3-carboxamide (PubChem CID 70107495) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylindole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylindole-3-carboxamide
PubChem CID70107495
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylindole-3-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1c(-c3cccnc3)n(C)c3ccccc13)C2
InChIInChI=1S/C23H26N4O/c1-26-17-9-10-18(26)13-16(12-17)25-23(28)21-19-7-3-4-8-20(19)27(2)22(21)15-6-5-11-24-14-15/h3-8,11,14,16-18H,9-10,12-13H2,1-2H3,(H,25,28)
InChIKeyJPIKBIANOBQHOY-UHFFFAOYSA-N
XLogP3.60
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylindole-3-carboxamide?
The IUPAC name of 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylindole-3-carboxamide (CID 70107495) is 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylindole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylindole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylindole-3-carboxamide is CN1C2CCC1CC(NC(=O)c1c(-c3cccnc3)n(C)c3ccccc13)C2.
What is the InChIKey of 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylindole-3-carboxamide?
The InChIKey is JPIKBIANOBQHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-26-17-9-10-18(26)13-16(12-17)25-23(28)21-19-7-3-4-8-20(19)27(2)22(21)15-6-5-11-24-14-15/h3-8,11,14,16-18H,9-10,12-13H2,1-2H3,(H,25,28).
What are the key properties of 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylindole-3-carboxamide?
1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylindole-3-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylindole-3-carboxamide is sourced from PubChem (CID 70107495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).