2-[(3S)-1-(2-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one

C19H17N5O3 — CID 136682322

About 2-[(3S)-1-(2-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one

2-[(3S)-1-(2-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 136682322) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 2-[(3S)-1-(2-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 2-[(3S)-1-(2-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
• PubChem CID: 136682322
• Molecular Formula: C19H17N5O3
• Molecular Weight: 363.38 g/mol
• Exact Mass: 363.13
• IUPAC Name: 2-[(3S)-1-(2-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
• SMILES: O=C(c1cc[nH]c(=O)c1)N1CC[C@H](c2nc(-c3ccccn3)cc(=O)[nH]2)C1
• InChI: InChI=1S/C19H17N5O3/c25-16-9-12(4-7-21-16)19(27)24-8-5-13(11-24)18-22-15(10-17(26)23-18)14-3-1-2-6-20-14/h1-4,6-7,9-10,13H,5,8,11H2,(H,21,25)(H,22,23,26)/t13-/m0/s1
• InChIKey: ZAMLLWBONCTJKH-ZDUSSCGKSA-N
• XLogP: 1.15
• TPSA: 111.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.38
LogP ≤ 5	1.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(2-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one?

The IUPAC name of 2-[(3S)-1-(2-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one (CID 136682322) is 2-[(3S)-1-(2-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one.

What is the SMILES notation for 2-[(3S)-1-(2-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one?

The canonical SMILES for 2-[(3S)-1-(2-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one is O=C(c1cc[nH]c(=O)c1)N1CC[C@H](c2nc(-c3ccccn3)cc(=O)[nH]2)C1.

What is the InChIKey of 2-[(3S)-1-(2-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one?

The InChIKey is ZAMLLWBONCTJKH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17N5O3/c25-16-9-12(4-7-21-16)19(27)24-8-5-13(11-24)18-22-15(10-17(26)23-18)14-3-1-2-6-20-14/h1-4,6-7,9-10,13H,5,8,11H2,(H,21,25)(H,22,23,26)/t13-/m0/s1.

What are the key properties of 2-[(3S)-1-(2-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one?

2-[(3S)-1-(2-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one has a molecular weight of 363.38 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S)-1-(2-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136682322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).