6-methyl-N-[[(1S,5S,6R,7R)-3-(4-methyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-2-carboxamide

C22H26N4O2 — CID 155912819

About 6-methyl-N-[[(1S,5S,6R,7R)-3-(4-methyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-2-carboxamide

6-methyl-N-[[(1S,5S,6R,7R)-3-(4-methyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-2-carboxamide (PubChem CID 155912819) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 6-methyl-N-[[(1S,5S,6R,7R)-3-(4-methyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-methyl-N-[[(1S,5S,6R,7R)-3-(4-methyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-2-carboxamide
• PubChem CID: 155912819
• Molecular Formula: C22H26N4O2
• Molecular Weight: 378.48 g/mol
• Exact Mass: 378.21
• IUPAC Name: 6-methyl-N-[[(1S,5S,6R,7R)-3-(4-methyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-2-carboxamide
• SMILES: Cc1ccnc(N2C[C@@H]3[C@H](CNC(=O)c4cccc(C)n4)[C@H]4CC[C@]3(C2)O4)c1
• InChI: InChI=1S/C22H26N4O2/c1-14-7-9-23-20(10-14)26-12-17-16(19-6-8-22(17,13-26)28-19)11-24-21(27)18-5-3-4-15(2)25-18/h3-5,7,9-10,16-17,19H,6,8,11-13H2,1-2H3,(H,24,27)/t16-,17+,19+,22+/m0/s1
• InChIKey: GLGDVXGJASBRDV-ODULNIPZSA-N
• XLogP: 2.51
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.48
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[(1S,5S,6R,7R)-3-(4-methyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-2-carboxamide?

The IUPAC name of 6-methyl-N-[[(1S,5S,6R,7R)-3-(4-methyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-2-carboxamide (CID 155912819) is 6-methyl-N-[[(1S,5S,6R,7R)-3-(4-methyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-2-carboxamide.

What is the SMILES notation for 6-methyl-N-[[(1S,5S,6R,7R)-3-(4-methyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-2-carboxamide?

The canonical SMILES for 6-methyl-N-[[(1S,5S,6R,7R)-3-(4-methyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-2-carboxamide is Cc1ccnc(N2C[C@@H]3[C@H](CNC(=O)c4cccc(C)n4)[C@H]4CC[C@]3(C2)O4)c1.

What is the InChIKey of 6-methyl-N-[[(1S,5S,6R,7R)-3-(4-methyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-2-carboxamide?

The InChIKey is GLGDVXGJASBRDV-ODULNIPZSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14-7-9-23-20(10-14)26-12-17-16(19-6-8-22(17,13-26)28-19)11-24-21(27)18-5-3-4-15(2)25-18/h3-5,7,9-10,16-17,19H,6,8,11-13H2,1-2H3,(H,24,27)/t16-,17+,19+,22+/m0/s1.

What are the key properties of 6-methyl-N-[[(1S,5S,6R,7R)-3-(4-methyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-2-carboxamide?

6-methyl-N-[[(1S,5S,6R,7R)-3-(4-methyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-2-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-N-[[(1S,5S,6R,7R)-3-(4-methyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 155912819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).