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

C18H23N5O — CID 95844524

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

2-methyl-1-[(2S)-2-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 95844524) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-methyl-1-[(2S)-2-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 2-methyl-1-[(2S)-2-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
• PubChem CID: 95844524
• Molecular Formula: C18H23N5O
• Molecular Weight: 325.42 g/mol
• Exact Mass: 325.19
• IUPAC Name: 2-methyl-1-[(2S)-2-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
• SMILES: Cc1cccc(Nc2nccnc2[C@@H]2CCCN2C(=O)C(C)C)n1
• InChI: InChI=1S/C18H23N5O/c1-12(2)18(24)23-11-5-7-14(23)16-17(20-10-9-19-16)22-15-8-4-6-13(3)21-15/h4,6,8-10,12,14H,5,7,11H2,1-3H3,(H,20,21,22)/t14-/m0/s1
• InChIKey: BNYAIJHMMSDZNZ-AWEZNQCLSA-N
• XLogP: 3.24
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.42
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-methyl-1-[(2S)-2-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one (CID 95844524) is 2-methyl-1-[(2S)-2-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one.

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

The canonical SMILES for 2-methyl-1-[(2S)-2-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one is Cc1cccc(Nc2nccnc2[C@@H]2CCCN2C(=O)C(C)C)n1.

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

The InChIKey is BNYAIJHMMSDZNZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N5O/c1-12(2)18(24)23-11-5-7-14(23)16-17(20-10-9-19-16)22-15-8-4-6-13(3)21-15/h4,6,8-10,12,14H,5,7,11H2,1-3H3,(H,20,21,22)/t14-/m0/s1.

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

2-methyl-1-[(2S)-2-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 325.42 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1-[(2S)-2-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 95844524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).