(2R)-1-[3-(dimethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one

C19H21N3O4 — CID 1155449

About (2R)-1-[3-(dimethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one

(2R)-1-[3-(dimethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one (PubChem CID 1155449) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is (2R)-1-[3-(dimethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: (2R)-1-[3-(dimethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
• PubChem CID: 1155449
• Molecular Formula: C19H21N3O4
• Molecular Weight: 355.39 g/mol
• Exact Mass: 355.15
• IUPAC Name: (2R)-1-[3-(dimethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
• SMILES: CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1cccnc1
• InChI: InChI=1S/C19H21N3O4/c1-21(2)9-5-10-22-16(13-6-3-8-20-12-13)15(18(24)19(22)25)17(23)14-7-4-11-26-14/h3-4,6-8,11-12,16,24H,5,9-10H2,1-2H3/t16-/m1/s1
• InChIKey: OBPKEJISUCALMU-MRXNPFEDSA-N
• XLogP: 2.20
• TPSA: 86.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.39
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (2R)-1-[3-(dimethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one (CID 1155449) is (2R)-1-[3-(dimethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one.

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

The canonical SMILES for (2R)-1-[3-(dimethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one is CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1cccnc1.

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

The InChIKey is OBPKEJISUCALMU-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-21(2)9-5-10-22-16(13-6-3-8-20-12-13)15(18(24)19(22)25)17(23)14-7-4-11-26-14/h3-4,6-8,11-12,16,24H,5,9-10H2,1-2H3/t16-/m1/s1.

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

(2R)-1-[3-(dimethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one has a molecular weight of 355.39 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[3-(dimethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one is sourced from PubChem (CID 1155449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).