2-amino-6-oxo-4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-1H-pyridine-3,5-dicarboxylic acid

C19H19N3O7 — CID 169406175

IUPAC2-amino-6-oxo-4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-1H-pyridine-3,5-dicarboxylic acid
SMILESNc1[nH]c(=O)c(C(=O)O)c(-c2ccc(OCCN3CCCC3=O)cc2)c1C(=O)O
InChIInChI=1S/C19H19N3O7/c20-16-14(18(25)26)13(15(19(27)28)17(24)21-16)10-3-5-11(6-4-10)29-9-8-22-7-1-2-12(22)23/h3-6H,1-2,7-9H2,(H,25,26)(H,27,28)(H3,20,21,24)
InChIKeyGWPIWCKOOJDOPD-UHFFFAOYSA-N
MW401.38 g/mol
LogP1.02
Rot. Bonds7

About 2-amino-6-oxo-4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-1H-pyridine-3,5-dicarboxylic acid

2-amino-6-oxo-4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169406175) has the molecular formula C19H19N3O7 and a molecular weight of 401.38 g/mol. Its IUPAC name is 2-amino-6-oxo-4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-6-oxo-4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169406175
Molecular FormulaC19H19N3O7
Molecular Weight401.38 g/mol
Exact Mass401.12
IUPAC Name2-amino-6-oxo-4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-1H-pyridine-3,5-dicarboxylic acid
SMILESNc1[nH]c(=O)c(C(=O)O)c(-c2ccc(OCCN3CCCC3=O)cc2)c1C(=O)O
InChIInChI=1S/C19H19N3O7/c20-16-14(18(25)26)13(15(19(27)28)17(24)21-16)10-3-5-11(6-4-10)29-9-8-22-7-1-2-12(22)23/h3-6H,1-2,7-9H2,(H,25,26)(H,27,28)(H3,20,21,24)
InChIKeyGWPIWCKOOJDOPD-UHFFFAOYSA-N
XLogP1.02
TPSA163.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-oxo-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyridine-3,5-dicarboxylic acid
CID 169405670
2-amino-4-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406549
1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one
CID 94702209
4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoate
CID 7438087
4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzohydrazide
CID 55213254
5-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403164
1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94711360
1-(2-phenoxyethyl)azepan-2-one
CID 10513813
1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-one
CID 94689193
2-amino-4-[4-(4-ethylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406962
2-amino-6-oxo-4-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]-1H-pyridine-3,5-dicarboxylic acid
CID 169406591
2-amino-4-(4-methylsulfonylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169404976

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-oxo-4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-6-oxo-4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-1H-pyridine-3,5-dicarboxylic acid (CID 169406175) is 2-amino-6-oxo-4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-6-oxo-4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-6-oxo-4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-1H-pyridine-3,5-dicarboxylic acid is Nc1[nH]c(=O)c(C(=O)O)c(-c2ccc(OCCN3CCCC3=O)cc2)c1C(=O)O.
What is the InChIKey of 2-amino-6-oxo-4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is GWPIWCKOOJDOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O7/c20-16-14(18(25)26)13(15(19(27)28)17(24)21-16)10-3-5-11(6-4-10)29-9-8-22-7-1-2-12(22)23/h3-6H,1-2,7-9H2,(H,25,26)(H,27,28)(H3,20,21,24).
What are the key properties of 2-amino-6-oxo-4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-1H-pyridine-3,5-dicarboxylic acid?
2-amino-6-oxo-4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 401.38 g/mol, XLogP of 1.02, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-oxo-4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169406175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).