1-[3-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one

C17H20N4O3 — CID 155915351

About 1-[3-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one

1-[3-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one (PubChem CID 155915351) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-[3-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one.

Molecular Properties

• Compound Name: 1-[3-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one
• PubChem CID: 155915351
• Molecular Formula: C17H20N4O3
• Molecular Weight: 328.37 g/mol
• Exact Mass: 328.15
• IUPAC Name: 1-[3-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one
• SMILES: O=C(CCn1ccccc1=O)N1C[C@@H](Cc2cnccn2)[C@H](O)C1
• InChI: InChI=1S/C17H20N4O3/c22-15-12-21(11-13(15)9-14-10-18-5-6-19-14)17(24)4-8-20-7-2-1-3-16(20)23/h1-3,5-7,10,13,15,22H,4,8-9,11-12H2/t13-,15-/m1/s1
• InChIKey: NPDRFQJQTQQZAU-UKRRQHHQSA-N
• XLogP: 0.09
• TPSA: 88.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.37
LogP ≤ 5	0.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one?

The IUPAC name of 1-[3-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one (CID 155915351) is 1-[3-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one.

What is the SMILES notation for 1-[3-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one?

The canonical SMILES for 1-[3-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one is O=C(CCn1ccccc1=O)N1C[C@@H](Cc2cnccn2)[C@H](O)C1.

What is the InChIKey of 1-[3-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one?

The InChIKey is NPDRFQJQTQQZAU-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-15-12-21(11-13(15)9-14-10-18-5-6-19-14)17(24)4-8-20-7-2-1-3-16(20)23/h1-3,5-7,10,13,15,22H,4,8-9,11-12H2/t13-,15-/m1/s1.

What are the key properties of 1-[3-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one?

1-[3-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one has a molecular weight of 328.37 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one is sourced from PubChem (CID 155915351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).