2-methoxy-2-methyl-1-[2-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one

C19H25N5O2 — CID 110111578

About 2-methoxy-2-methyl-1-[2-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one

2-methoxy-2-methyl-1-[2-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 110111578) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-methoxy-2-methyl-1-[2-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 2-methoxy-2-methyl-1-[2-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
• PubChem CID: 110111578
• Molecular Formula: C19H25N5O2
• Molecular Weight: 355.44 g/mol
• Exact Mass: 355.20
• IUPAC Name: 2-methoxy-2-methyl-1-[2-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
• SMILES: COC(C)(C)C(=O)N1CCCC1c1nccnc1Nc1cccc(C)n1
• InChI: InChI=1S/C19H25N5O2/c1-13-7-5-9-15(22-13)23-17-16(20-10-11-21-17)14-8-6-12-24(14)18(25)19(2,3)26-4/h5,7,9-11,14H,6,8,12H2,1-4H3,(H,21,22,23)
• InChIKey: IGHLBXRSLKMOBW-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.44
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-1-[2-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?

The IUPAC name of 2-methoxy-2-methyl-1-[2-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one (CID 110111578) is 2-methoxy-2-methyl-1-[2-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one.

What is the SMILES notation for 2-methoxy-2-methyl-1-[2-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?

The canonical SMILES for 2-methoxy-2-methyl-1-[2-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one is COC(C)(C)C(=O)N1CCCC1c1nccnc1Nc1cccc(C)n1.

What is the InChIKey of 2-methoxy-2-methyl-1-[2-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?

The InChIKey is IGHLBXRSLKMOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-13-7-5-9-15(22-13)23-17-16(20-10-11-21-17)14-8-6-12-24(14)18(25)19(2,3)26-4/h5,7,9-11,14H,6,8,12H2,1-4H3,(H,21,22,23).

What are the key properties of 2-methoxy-2-methyl-1-[2-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?

2-methoxy-2-methyl-1-[2-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 355.44 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-2-methyl-1-[2-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110111578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).