1-ethyl-3-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidine-1-carbonyl]-4,6-dimethylpyridin-2-one

C20H25N3O3 — CID 135109417

About 1-ethyl-3-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidine-1-carbonyl]-4,6-dimethylpyridin-2-one

1-ethyl-3-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidine-1-carbonyl]-4,6-dimethylpyridin-2-one (PubChem CID 135109417) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-ethyl-3-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidine-1-carbonyl]-4,6-dimethylpyridin-2-one.

Molecular Properties

• Compound Name: 1-ethyl-3-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidine-1-carbonyl]-4,6-dimethylpyridin-2-one
• PubChem CID: 135109417
• Molecular Formula: C20H25N3O3
• Molecular Weight: 355.44 g/mol
• Exact Mass: 355.19
• IUPAC Name: 1-ethyl-3-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidine-1-carbonyl]-4,6-dimethylpyridin-2-one
• SMILES: CCn1c(C)cc(C)c(C(=O)N2C[C@@H](Cc3ccncc3)[C@@H](O)C2)c1=O
• InChI: InChI=1S/C20H25N3O3/c1-4-23-14(3)9-13(2)18(20(23)26)19(25)22-11-16(17(24)12-22)10-15-5-7-21-8-6-15/h5-9,16-17,24H,4,10-12H2,1-3H3/t16-,17+/m1/s1
• InChIKey: UWLSCWNKQQENLG-SJORKVTESA-N
• XLogP: 1.56
• TPSA: 75.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.44
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidine-1-carbonyl]-4,6-dimethylpyridin-2-one?

The IUPAC name of 1-ethyl-3-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidine-1-carbonyl]-4,6-dimethylpyridin-2-one (CID 135109417) is 1-ethyl-3-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidine-1-carbonyl]-4,6-dimethylpyridin-2-one.

What is the SMILES notation for 1-ethyl-3-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidine-1-carbonyl]-4,6-dimethylpyridin-2-one?

The canonical SMILES for 1-ethyl-3-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidine-1-carbonyl]-4,6-dimethylpyridin-2-one is CCn1c(C)cc(C)c(C(=O)N2C[C@@H](Cc3ccncc3)[C@@H](O)C2)c1=O.

What is the InChIKey of 1-ethyl-3-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidine-1-carbonyl]-4,6-dimethylpyridin-2-one?

The InChIKey is UWLSCWNKQQENLG-SJORKVTESA-N. The full InChI is InChI=1S/C20H25N3O3/c1-4-23-14(3)9-13(2)18(20(23)26)19(25)22-11-16(17(24)12-22)10-15-5-7-21-8-6-15/h5-9,16-17,24H,4,10-12H2,1-3H3/t16-,17+/m1/s1.

What are the key properties of 1-ethyl-3-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidine-1-carbonyl]-4,6-dimethylpyridin-2-one?

1-ethyl-3-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidine-1-carbonyl]-4,6-dimethylpyridin-2-one has a molecular weight of 355.44 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidine-1-carbonyl]-4,6-dimethylpyridin-2-one is sourced from PubChem (CID 135109417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).