N-[8-(6-methoxypyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide

C20H23N5O3 — CID 156610340

About N-[8-(6-methoxypyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide

N-[8-(6-methoxypyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide (PubChem CID 156610340) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[8-(6-methoxypyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[8-(6-methoxypyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
• PubChem CID: 156610340
• Molecular Formula: C20H23N5O3
• Molecular Weight: 381.44 g/mol
• Exact Mass: 381.18
• IUPAC Name: N-[8-(6-methoxypyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
• SMILES: COc1ccc(C(=O)N2C3CCC2CC(NC(=O)c2cnc(C)cn2)C3)cn1
• InChI: InChI=1S/C20H23N5O3/c1-12-9-22-17(11-21-12)19(26)24-14-7-15-4-5-16(8-14)25(15)20(27)13-3-6-18(28-2)23-10-13/h3,6,9-11,14-16H,4-5,7-8H2,1-2H3,(H,24,26)
• InChIKey: WBESGMIRSNQHOG-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 97.31 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	381.44
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[8-(6-methoxypyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide?

The IUPAC name of N-[8-(6-methoxypyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide (CID 156610340) is N-[8-(6-methoxypyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide.

What is the SMILES notation for N-[8-(6-methoxypyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide?

The canonical SMILES for N-[8-(6-methoxypyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide is COc1ccc(C(=O)N2C3CCC2CC(NC(=O)c2cnc(C)cn2)C3)cn1.

What is the InChIKey of N-[8-(6-methoxypyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide?

The InChIKey is WBESGMIRSNQHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-12-9-22-17(11-21-12)19(26)24-14-7-15-4-5-16(8-14)25(15)20(27)13-3-6-18(28-2)23-10-13/h3,6,9-11,14-16H,4-5,7-8H2,1-2H3,(H,24,26).

What are the key properties of N-[8-(6-methoxypyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide?

N-[8-(6-methoxypyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-(6-methoxypyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 156610340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).