4-methyl-3-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carbonyl]-1H-pyridin-2-one

C20H24N4O3 — CID 129332487

About 4-methyl-3-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carbonyl]-1H-pyridin-2-one

4-methyl-3-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 129332487) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-methyl-3-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 4-methyl-3-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
• PubChem CID: 129332487
• Molecular Formula: C20H24N4O3
• Molecular Weight: 368.44 g/mol
• Exact Mass: 368.18
• IUPAC Name: 4-methyl-3-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
• SMILES: Cc1cc[nH]c(=O)c1C(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1
• InChI: InChI=1S/C20H24N4O3/c1-14-6-9-22-19(25)17(14)20(26)24-12-7-15(13-24)27-16-5-4-8-21-18(16)23-10-2-3-11-23/h4-6,8-9,15H,2-3,7,10-13H2,1H3,(H,22,25)/t15-/m0/s1
• InChIKey: KXGNBARKUXVCRY-HNNXBMFYSA-N
• XLogP: 1.97
• TPSA: 78.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.44
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carbonyl]-1H-pyridin-2-one?

The IUPAC name of 4-methyl-3-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 129332487) is 4-methyl-3-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carbonyl]-1H-pyridin-2-one.

What is the SMILES notation for 4-methyl-3-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carbonyl]-1H-pyridin-2-one?

The canonical SMILES for 4-methyl-3-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carbonyl]-1H-pyridin-2-one is Cc1cc[nH]c(=O)c1C(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1.

What is the InChIKey of 4-methyl-3-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carbonyl]-1H-pyridin-2-one?

The InChIKey is KXGNBARKUXVCRY-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-14-6-9-22-19(25)17(14)20(26)24-12-7-15(13-24)27-16-5-4-8-21-18(16)23-10-2-3-11-23/h4-6,8-9,15H,2-3,7,10-13H2,1H3,(H,22,25)/t15-/m0/s1.

What are the key properties of 4-methyl-3-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carbonyl]-1H-pyridin-2-one?

4-methyl-3-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 368.44 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-3-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 129332487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).