2-amino-6-oxo-4-(3-pyridin-3-ylphenyl)-1H-pyridine-3,5-dicarboxylic acid

C18H13N3O5 — CID 169405410

IUPAC2-amino-6-oxo-4-(3-pyridin-3-ylphenyl)-1H-pyridine-3,5-dicarboxylic acid
SMILESNc1[nH]c(=O)c(C(=O)O)c(-c2cccc(-c3cccnc3)c2)c1C(=O)O
InChIInChI=1S/C18H13N3O5/c19-15-13(17(23)24)12(14(18(25)26)16(22)21-15)10-4-1-3-9(7-10)11-5-2-6-20-8-11/h1-8H,(H,23,24)(H,25,26)(H3,19,21,22)
InChIKeyDGIIQFDVBQLHDW-UHFFFAOYSA-N
MW351.32 g/mol
LogP2.08
Rot. Bonds4

About 2-amino-6-oxo-4-(3-pyridin-3-ylphenyl)-1H-pyridine-3,5-dicarboxylic acid

2-amino-6-oxo-4-(3-pyridin-3-ylphenyl)-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169405410) has the molecular formula C18H13N3O5 and a molecular weight of 351.32 g/mol. Its IUPAC name is 2-amino-6-oxo-4-(3-pyridin-3-ylphenyl)-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-6-oxo-4-(3-pyridin-3-ylphenyl)-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169405410
Molecular FormulaC18H13N3O5
Molecular Weight351.32 g/mol
Exact Mass351.09
IUPAC Name2-amino-6-oxo-4-(3-pyridin-3-ylphenyl)-1H-pyridine-3,5-dicarboxylic acid
SMILESNc1[nH]c(=O)c(C(=O)O)c(-c2cccc(-c3cccnc3)c2)c1C(=O)O
InChIInChI=1S/C18H13N3O5/c19-15-13(17(23)24)12(14(18(25)26)16(22)21-15)10-4-1-3-9(7-10)11-5-2-6-20-8-11/h1-8H,(H,23,24)(H,25,26)(H3,19,21,22)
InChIKeyDGIIQFDVBQLHDW-UHFFFAOYSA-N
XLogP2.08
TPSA146.37 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-oxo-4-(3-pyridin-3-ylphenyl)-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-6-oxo-4-(3-pyridin-3-ylphenyl)-1H-pyridine-3,5-dicarboxylic acid (CID 169405410) is 2-amino-6-oxo-4-(3-pyridin-3-ylphenyl)-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-6-oxo-4-(3-pyridin-3-ylphenyl)-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-6-oxo-4-(3-pyridin-3-ylphenyl)-1H-pyridine-3,5-dicarboxylic acid is Nc1[nH]c(=O)c(C(=O)O)c(-c2cccc(-c3cccnc3)c2)c1C(=O)O.
What is the InChIKey of 2-amino-6-oxo-4-(3-pyridin-3-ylphenyl)-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is DGIIQFDVBQLHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O5/c19-15-13(17(23)24)12(14(18(25)26)16(22)21-15)10-4-1-3-9(7-10)11-5-2-6-20-8-11/h1-8H,(H,23,24)(H,25,26)(H3,19,21,22).
What are the key properties of 2-amino-6-oxo-4-(3-pyridin-3-ylphenyl)-1H-pyridine-3,5-dicarboxylic acid?
2-amino-6-oxo-4-(3-pyridin-3-ylphenyl)-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 351.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-oxo-4-(3-pyridin-3-ylphenyl)-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169405410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).