1-[2-(diethylamino)ethyl]-4-(5-methylfuran-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione

C21H25N3O4 — CID 91898048

IUPAC1-[2-(diethylamino)ethyl]-4-(5-methylfuran-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
SMILESCCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(C)o2)C1c1ccccn1
InChIInChI=1S/C21H25N3O4/c1-4-23(5-2)12-13-24-18(15-8-6-7-11-22-15)17(20(26)21(24)27)19(25)16-10-9-14(3)28-16/h6-11,17-18H,4-5,12-13H2,1-3H3
InChIKeyLWZDZFMLABTQBC-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.28
Rot. Bonds8

About 1-[2-(diethylamino)ethyl]-4-(5-methylfuran-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione

1-[2-(diethylamino)ethyl]-4-(5-methylfuran-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione (PubChem CID 91898048) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-4-(5-methylfuran-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-4-(5-methylfuran-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
PubChem CID91898048
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name1-[2-(diethylamino)ethyl]-4-(5-methylfuran-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
SMILESCCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(C)o2)C1c1ccccn1
InChIInChI=1S/C21H25N3O4/c1-4-23(5-2)12-13-24-18(15-8-6-7-11-22-15)17(20(26)21(24)27)19(25)16-10-9-14(3)28-16/h6-11,17-18H,4-5,12-13H2,1-3H3
InChIKeyLWZDZFMLABTQBC-UHFFFAOYSA-N
XLogP2.28
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-4-(5-methylfuran-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione?
The IUPAC name of 1-[2-(diethylamino)ethyl]-4-(5-methylfuran-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione (CID 91898048) is 1-[2-(diethylamino)ethyl]-4-(5-methylfuran-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-4-(5-methylfuran-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-4-(5-methylfuran-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione is CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(C)o2)C1c1ccccn1.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-4-(5-methylfuran-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione?
The InChIKey is LWZDZFMLABTQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-4-23(5-2)12-13-24-18(15-8-6-7-11-22-15)17(20(26)21(24)27)19(25)16-10-9-14(3)28-16/h6-11,17-18H,4-5,12-13H2,1-3H3.
What are the key properties of 1-[2-(diethylamino)ethyl]-4-(5-methylfuran-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione?
1-[2-(diethylamino)ethyl]-4-(5-methylfuran-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione has a molecular weight of 383.45 g/mol, XLogP of 2.28, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-4-(5-methylfuran-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione is sourced from PubChem (CID 91898048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).