3-methyl-N-[(2R,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide

C19H23N3OS — CID 10088711

About 3-methyl-N-[(2R,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide

3-methyl-N-[(2R,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide (PubChem CID 10088711) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 3-methyl-N-[(2R,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-N-[(2R,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide
• PubChem CID: 10088711
• Molecular Formula: C19H23N3OS
• Molecular Weight: 341.48 g/mol
• Exact Mass: 341.16
• IUPAC Name: 3-methyl-N-[(2R,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide
• SMILES: Cc1ccsc1C(=O)N[C@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1
• InChI: InChI=1S/C19H23N3OS/c1-13-6-10-24-18(13)19(23)21-17-15-4-8-22(9-5-15)16(17)11-14-3-2-7-20-12-14/h2-3,6-7,10,12,15-17H,4-5,8-9,11H2,1H3,(H,21,23)/t16-,17+/m1/s1
• InChIKey: FCGXEWIXCBHLJT-SJORKVTESA-N
• XLogP: 2.89
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.48
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-methyl-N-[(2R,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide (CID 10088711) is 3-methyl-N-[(2R,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide.

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

The canonical SMILES for 3-methyl-N-[(2R,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide is Cc1ccsc1C(=O)N[C@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1.

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

The InChIKey is FCGXEWIXCBHLJT-SJORKVTESA-N. The full InChI is InChI=1S/C19H23N3OS/c1-13-6-10-24-18(13)19(23)21-17-15-4-8-22(9-5-15)16(17)11-14-3-2-7-20-12-14/h2-3,6-7,10,12,15-17H,4-5,8-9,11H2,1H3,(H,21,23)/t16-,17+/m1/s1.

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

3-methyl-N-[(2R,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide has a molecular weight of 341.48 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[(2R,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 10088711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).