[(2S,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone

C17H19N3O2 — CID 97470175

About [(2S,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone

[(2S,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 97470175) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is [(2S,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

• Compound Name: [(2S,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
• PubChem CID: 97470175
• Molecular Formula: C17H19N3O2
• Molecular Weight: 297.36 g/mol
• Exact Mass: 297.15
• IUPAC Name: [(2S,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
• SMILES: Cc1ccc(C(=O)N2CC[C@@H](O)[C@@H]2Cc2cccnc2)cn1
• InChI: InChI=1S/C17H19N3O2/c1-12-4-5-14(11-19-12)17(22)20-8-6-16(21)15(20)9-13-3-2-7-18-10-13/h2-5,7,10-11,15-16,21H,6,8-9H2,1H3/t15-,16+/m0/s1
• InChIKey: UGRDGYIQWRHYIL-JKSUJKDBSA-N
• XLogP: 1.60
• TPSA: 66.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	297.36
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone?

The IUPAC name of [(2S,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone (CID 97470175) is [(2S,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone.

What is the SMILES notation for [(2S,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone?

The canonical SMILES for [(2S,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)N2CC[C@@H](O)[C@@H]2Cc2cccnc2)cn1.

What is the InChIKey of [(2S,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone?

The InChIKey is UGRDGYIQWRHYIL-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-4-5-14(11-19-12)17(22)20-8-6-16(21)15(20)9-13-3-2-7-18-10-13/h2-5,7,10-11,15-16,21H,6,8-9H2,1H3/t15-,16+/m0/s1.

What are the key properties of [(2S,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone?

[(2S,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 297.36 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 97470175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).