1-[4-(dimethylamino)phenyl]-4-hydroxy-2-pyridin-3-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

C22H19N3O3S — CID 108590801

About 1-[4-(dimethylamino)phenyl]-4-hydroxy-2-pyridin-3-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

1-[4-(dimethylamino)phenyl]-4-hydroxy-2-pyridin-3-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 108590801) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-4-hydroxy-2-pyridin-3-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 1-[4-(dimethylamino)phenyl]-4-hydroxy-2-pyridin-3-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
• PubChem CID: 108590801
• Molecular Formula: C22H19N3O3S
• Molecular Weight: 405.48 g/mol
• Exact Mass: 405.11
• IUPAC Name: 1-[4-(dimethylamino)phenyl]-4-hydroxy-2-pyridin-3-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
• SMILES: CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)C2c2cccnc2)cc1
• InChI: InChI=1S/C22H19N3O3S/c1-24(2)15-7-9-16(10-8-15)25-19(14-5-3-11-23-13-14)18(21(27)22(25)28)20(26)17-6-4-12-29-17/h3-13,19,27H,1-2H3
• InChIKey: HOSVPLRGVYKOJK-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 73.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.48
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-4-hydroxy-2-pyridin-3-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?

The IUPAC name of 1-[4-(dimethylamino)phenyl]-4-hydroxy-2-pyridin-3-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 108590801) is 1-[4-(dimethylamino)phenyl]-4-hydroxy-2-pyridin-3-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-4-hydroxy-2-pyridin-3-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?

The canonical SMILES for 1-[4-(dimethylamino)phenyl]-4-hydroxy-2-pyridin-3-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)C2c2cccnc2)cc1.

What is the InChIKey of 1-[4-(dimethylamino)phenyl]-4-hydroxy-2-pyridin-3-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?

The InChIKey is HOSVPLRGVYKOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-24(2)15-7-9-16(10-8-15)25-19(14-5-3-11-23-13-14)18(21(27)22(25)28)20(26)17-6-4-12-29-17/h3-13,19,27H,1-2H3.

What are the key properties of 1-[4-(dimethylamino)phenyl]-4-hydroxy-2-pyridin-3-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?

1-[4-(dimethylamino)phenyl]-4-hydroxy-2-pyridin-3-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 405.48 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(dimethylamino)phenyl]-4-hydroxy-2-pyridin-3-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108590801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).