N-[(2S,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1H-indole-3-carboxamide

C22H24N4O — CID 10361179

About N-[(2S,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1H-indole-3-carboxamide

N-[(2S,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1H-indole-3-carboxamide (PubChem CID 10361179) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[(2S,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1H-indole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1H-indole-3-carboxamide
• PubChem CID: 10361179
• Molecular Formula: C22H24N4O
• Molecular Weight: 360.46 g/mol
• Exact Mass: 360.20
• IUPAC Name: N-[(2S,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1H-indole-3-carboxamide
• SMILES: O=C(N[C@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1c[nH]c2ccccc12
• InChI: InChI=1S/C22H24N4O/c27-22(18-14-24-19-6-2-1-5-17(18)19)25-21-16-7-10-26(11-8-16)20(21)12-15-4-3-9-23-13-15/h1-6,9,13-14,16,20-21,24H,7-8,10-12H2,(H,25,27)/t20-,21-/m0/s1
• InChIKey: YWHAUAVPYNZOSF-SFTDATJTSA-N
• XLogP: 3.00
• TPSA: 61.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.46
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1H-indole-3-carboxamide?

The IUPAC name of N-[(2S,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1H-indole-3-carboxamide (CID 10361179) is N-[(2S,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1H-indole-3-carboxamide.

What is the SMILES notation for N-[(2S,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1H-indole-3-carboxamide?

The canonical SMILES for N-[(2S,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1H-indole-3-carboxamide is O=C(N[C@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1c[nH]c2ccccc12.

What is the InChIKey of N-[(2S,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1H-indole-3-carboxamide?

The InChIKey is YWHAUAVPYNZOSF-SFTDATJTSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(18-14-24-19-6-2-1-5-17(18)19)25-21-16-7-10-26(11-8-16)20(21)12-15-4-3-9-23-13-15/h1-6,9,13-14,16,20-21,24H,7-8,10-12H2,(H,25,27)/t20-,21-/m0/s1.

What are the key properties of N-[(2S,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1H-indole-3-carboxamide?

N-[(2S,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1H-indole-3-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1H-indole-3-carboxamide is sourced from PubChem (CID 10361179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).