5-ethyl-6-[4-[2-(1-methoxyethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid

C21H26N2O4 — CID 123356510

IUPAC5-ethyl-6-[4-[2-(1-methoxyethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCCC2C(C)OC)cc1
InChIInChI=1S/C21H26N2O4/c1-4-14-12-17(21(25)26)20(24)22-19(14)15-7-9-16(10-8-15)23-11-5-6-18(23)13(2)27-3/h7-10,12-13,18H,4-6,11H2,1-3H3,(H,22,24)(H,25,26)
InChIKeyVJIMGDKNDARGJB-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.31
Rot. Bonds6

About 5-ethyl-6-[4-[2-(1-methoxyethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid

5-ethyl-6-[4-[2-(1-methoxyethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 123356510) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 5-ethyl-6-[4-[2-(1-methoxyethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-6-[4-[2-(1-methoxyethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID123356510
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name5-ethyl-6-[4-[2-(1-methoxyethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCCC2C(C)OC)cc1
InChIInChI=1S/C21H26N2O4/c1-4-14-12-17(21(25)26)20(24)22-19(14)15-7-9-16(10-8-15)23-11-5-6-18(23)13(2)27-3/h7-10,12-13,18H,4-6,11H2,1-3H3,(H,22,24)(H,25,26)
InChIKeyVJIMGDKNDARGJB-UHFFFAOYSA-N
XLogP3.31
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-[4-[2-(1-methoxyethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-6-[4-[2-(1-methoxyethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid (CID 123356510) is 5-ethyl-6-[4-[2-(1-methoxyethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-6-[4-[2-(1-methoxyethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-6-[4-[2-(1-methoxyethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid is CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCCC2C(C)OC)cc1.
What is the InChIKey of 5-ethyl-6-[4-[2-(1-methoxyethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is VJIMGDKNDARGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-4-14-12-17(21(25)26)20(24)22-19(14)15-7-9-16(10-8-15)23-11-5-6-18(23)13(2)27-3/h7-10,12-13,18H,4-6,11H2,1-3H3,(H,22,24)(H,25,26).
What are the key properties of 5-ethyl-6-[4-[2-(1-methoxyethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid?
5-ethyl-6-[4-[2-(1-methoxyethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 370.45 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-[4-[2-(1-methoxyethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 123356510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).