4-methyl-5-[(3S)-3-methyl-4-(4-methyl-6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one

C19H22N4O4 — CID 127464891

About 4-methyl-5-[(3S)-3-methyl-4-(4-methyl-6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one

4-methyl-5-[(3S)-3-methyl-4-(4-methyl-6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 127464891) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-methyl-5-[(3S)-3-methyl-4-(4-methyl-6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 4-methyl-5-[(3S)-3-methyl-4-(4-methyl-6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one
• PubChem CID: 127464891
• Molecular Formula: C19H22N4O4
• Molecular Weight: 370.41 g/mol
• Exact Mass: 370.16
• IUPAC Name: 4-methyl-5-[(3S)-3-methyl-4-(4-methyl-6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one
• SMILES: Cc1cc(=O)[nH]cc1C(=O)N1CCN(C(=O)c2c[nH]c(=O)cc2C)[C@@H](C)C1
• InChI: InChI=1S/C19H22N4O4/c1-11-6-16(24)20-8-14(11)18(26)22-4-5-23(13(3)10-22)19(27)15-9-21-17(25)7-12(15)2/h6-9,13H,4-5,10H2,1-3H3,(H,20,24)(H,21,25)/t13-/m0/s1
• InChIKey: GLITZXFQUSASLX-ZDUSSCGKSA-N
• XLogP: 0.67
• TPSA: 106.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.41
LogP ≤ 5	0.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(3S)-3-methyl-4-(4-methyl-6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one?

The IUPAC name of 4-methyl-5-[(3S)-3-methyl-4-(4-methyl-6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one (CID 127464891) is 4-methyl-5-[(3S)-3-methyl-4-(4-methyl-6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one.

What is the SMILES notation for 4-methyl-5-[(3S)-3-methyl-4-(4-methyl-6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one?

The canonical SMILES for 4-methyl-5-[(3S)-3-methyl-4-(4-methyl-6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one is Cc1cc(=O)[nH]cc1C(=O)N1CCN(C(=O)c2c[nH]c(=O)cc2C)[C@@H](C)C1.

What is the InChIKey of 4-methyl-5-[(3S)-3-methyl-4-(4-methyl-6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one?

The InChIKey is GLITZXFQUSASLX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-11-6-16(24)20-8-14(11)18(26)22-4-5-23(13(3)10-22)19(27)15-9-21-17(25)7-12(15)2/h6-9,13H,4-5,10H2,1-3H3,(H,20,24)(H,21,25)/t13-/m0/s1.

What are the key properties of 4-methyl-5-[(3S)-3-methyl-4-(4-methyl-6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one?

4-methyl-5-[(3S)-3-methyl-4-(4-methyl-6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 370.41 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-5-[(3S)-3-methyl-4-(4-methyl-6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 127464891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).