5-[3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-phenylfuro[3,4-c]pyridine-3,4-dione

C21H26N2O4 — CID 71602427

IUPAC5-[3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-phenylfuro[3,4-c]pyridine-3,4-dione
SMILESCCN(CC)CC(O)Cn1ccc2c(c1=O)C(=O)OC2(C)c1ccccc1
InChIInChI=1S/C21H26N2O4/c1-4-22(5-2)13-16(24)14-23-12-11-17-18(19(23)25)20(26)27-21(17,3)15-9-7-6-8-10-15/h6-12,16,24H,4-5,13-14H2,1-3H3
InChIKeyDQZKWOYYSNKISM-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.98
Rot. Bonds7

About 5-[3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-phenylfuro[3,4-c]pyridine-3,4-dione

5-[3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-phenylfuro[3,4-c]pyridine-3,4-dione (PubChem CID 71602427) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 5-[3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-phenylfuro[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name5-[3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-phenylfuro[3,4-c]pyridine-3,4-dione
PubChem CID71602427
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name5-[3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-phenylfuro[3,4-c]pyridine-3,4-dione
SMILESCCN(CC)CC(O)Cn1ccc2c(c1=O)C(=O)OC2(C)c1ccccc1
InChIInChI=1S/C21H26N2O4/c1-4-22(5-2)13-16(24)14-23-12-11-17-18(19(23)25)20(26)27-21(17,3)15-9-7-6-8-10-15/h6-12,16,24H,4-5,13-14H2,1-3H3
InChIKeyDQZKWOYYSNKISM-UHFFFAOYSA-N
XLogP1.98
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-phenylfuro[3,4-c]pyridine-3,4-dione?
The IUPAC name of 5-[3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-phenylfuro[3,4-c]pyridine-3,4-dione (CID 71602427) is 5-[3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-phenylfuro[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for 5-[3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-phenylfuro[3,4-c]pyridine-3,4-dione?
The canonical SMILES for 5-[3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-phenylfuro[3,4-c]pyridine-3,4-dione is CCN(CC)CC(O)Cn1ccc2c(c1=O)C(=O)OC2(C)c1ccccc1.
What is the InChIKey of 5-[3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-phenylfuro[3,4-c]pyridine-3,4-dione?
The InChIKey is DQZKWOYYSNKISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-4-22(5-2)13-16(24)14-23-12-11-17-18(19(23)25)20(26)27-21(17,3)15-9-7-6-8-10-15/h6-12,16,24H,4-5,13-14H2,1-3H3.
What are the key properties of 5-[3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-phenylfuro[3,4-c]pyridine-3,4-dione?
5-[3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-phenylfuro[3,4-c]pyridine-3,4-dione has a molecular weight of 370.45 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-phenylfuro[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 71602427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).