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

C22H26N4O3 — CID 155916553

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

4-methoxy-N-[[(1S,5S,6R,7R)-3-(6-methyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-2-carboxamide (PubChem CID 155916553) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-methoxy-N-[[(1S,5S,6R,7R)-3-(6-methyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[[(1S,5S,6R,7R)-3-(6-methyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-2-carboxamide
• PubChem CID: 155916553
• Molecular Formula: C22H26N4O3
• Molecular Weight: 394.48 g/mol
• Exact Mass: 394.20
• IUPAC Name: 4-methoxy-N-[[(1S,5S,6R,7R)-3-(6-methyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-2-carboxamide
• SMILES: COc1ccnc(C(=O)NC[C@H]2[C@H]3CN(c4cccc(C)n4)C[C@]34CC[C@H]2O4)c1
• InChI: InChI=1S/C22H26N4O3/c1-14-4-3-5-20(25-14)26-12-17-16(19-6-8-22(17,13-26)29-19)11-24-21(27)18-10-15(28-2)7-9-23-18/h3-5,7,9-10,16-17,19H,6,8,11-13H2,1-2H3,(H,24,27)/t16-,17+,19+,22+/m0/s1
• InChIKey: VCGBYOHZJJSTJD-ODULNIPZSA-N
• XLogP: 2.21
• TPSA: 76.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.48
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-methoxy-N-[[(1S,5S,6R,7R)-3-(6-methyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-2-carboxamide (CID 155916553) is 4-methoxy-N-[[(1S,5S,6R,7R)-3-(6-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 4-methoxy-N-[[(1S,5S,6R,7R)-3-(6-methyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-2-carboxamide?

The canonical SMILES for 4-methoxy-N-[[(1S,5S,6R,7R)-3-(6-methyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-2-carboxamide is COc1ccnc(C(=O)NC[C@H]2[C@H]3CN(c4cccc(C)n4)C[C@]34CC[C@H]2O4)c1.

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

The InChIKey is VCGBYOHZJJSTJD-ODULNIPZSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-14-4-3-5-20(25-14)26-12-17-16(19-6-8-22(17,13-26)29-19)11-24-21(27)18-10-15(28-2)7-9-23-18/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 4-methoxy-N-[[(1S,5S,6R,7R)-3-(6-methyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-2-carboxamide?

4-methoxy-N-[[(1S,5S,6R,7R)-3-(6-methyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-2-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[[(1S,5S,6R,7R)-3-(6-methyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 155916553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).