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

C21H25N5O2 — CID 155501572

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

4-methyl-N-[[(1S,5S,6R,7R)-3-(6-methylpyrazin-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide (PubChem CID 155501572) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-methyl-N-[[(1S,5S,6R,7R)-3-(6-methylpyrazin-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-[[(1S,5S,6R,7R)-3-(6-methylpyrazin-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide
• PubChem CID: 155501572
• Molecular Formula: C21H25N5O2
• Molecular Weight: 379.46 g/mol
• Exact Mass: 379.20
• IUPAC Name: 4-methyl-N-[[(1S,5S,6R,7R)-3-(6-methylpyrazin-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide
• SMILES: Cc1cncc(N2C[C@@H]3[C@H](CNC(=O)c4cnccc4C)[C@H]4CC[C@]3(C2)O4)n1
• InChI: InChI=1S/C21H25N5O2/c1-13-4-6-22-8-15(13)20(27)24-9-16-17-11-26(19-10-23-7-14(2)25-19)12-21(17)5-3-18(16)28-21/h4,6-8,10,16-18H,3,5,9,11-12H2,1-2H3,(H,24,27)/t16-,17+,18+,21+/m0/s1
• InChIKey: WCAORVGEYUAARS-XKGFGPFHSA-N
• XLogP: 1.90
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.46
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-methyl-N-[[(1S,5S,6R,7R)-3-(6-methylpyrazin-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide (CID 155501572) is 4-methyl-N-[[(1S,5S,6R,7R)-3-(6-methylpyrazin-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide.

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

The canonical SMILES for 4-methyl-N-[[(1S,5S,6R,7R)-3-(6-methylpyrazin-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide is Cc1cncc(N2C[C@@H]3[C@H](CNC(=O)c4cnccc4C)[C@H]4CC[C@]3(C2)O4)n1.

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

The InChIKey is WCAORVGEYUAARS-XKGFGPFHSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-13-4-6-22-8-15(13)20(27)24-9-16-17-11-26(19-10-23-7-14(2)25-19)12-21(17)5-3-18(16)28-21/h4,6-8,10,16-18H,3,5,9,11-12H2,1-2H3,(H,24,27)/t16-,17+,18+,21+/m0/s1.

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

4-methyl-N-[[(1S,5S,6R,7R)-3-(6-methylpyrazin-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[[(1S,5S,6R,7R)-3-(6-methylpyrazin-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 155501572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).