5-[5-(3-chlorophenyl)-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione

C20H13ClN4O3 — CID 170716828

IUPAC5-[5-(3-chlorophenyl)-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc(-c3cccc(Cl)c3)c(=O)n(-c3cccnc3)c2)c(=O)[nH]1
InChIInChI=1S/C20H13ClN4O3/c21-14-4-1-3-12(7-14)16-8-13(17-10-23-20(28)24-18(17)26)11-25(19(16)27)15-5-2-6-22-9-15/h1-11H,(H2,23,24,26,28)
InChIKeyXOPZNMANGWUPLN-UHFFFAOYSA-N
MW392.80 g/mol
LogP2.60
Rot. Bonds3

About 5-[5-(3-chlorophenyl)-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione

5-[5-(3-chlorophenyl)-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione (PubChem CID 170716828) has the molecular formula C20H13ClN4O3 and a molecular weight of 392.80 g/mol. Its IUPAC name is 5-[5-(3-chlorophenyl)-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[5-(3-chlorophenyl)-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione
PubChem CID170716828
Molecular FormulaC20H13ClN4O3
Molecular Weight392.80 g/mol
Exact Mass392.07
IUPAC Name5-[5-(3-chlorophenyl)-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc(-c3cccc(Cl)c3)c(=O)n(-c3cccnc3)c2)c(=O)[nH]1
InChIInChI=1S/C20H13ClN4O3/c21-14-4-1-3-12(7-14)16-8-13(17-10-23-20(28)24-18(17)26)11-25(19(16)27)15-5-2-6-22-9-15/h1-11H,(H2,23,24,26,28)
InChIKeyXOPZNMANGWUPLN-UHFFFAOYSA-N
XLogP2.60
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.80
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-chlorophenyl)-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[5-(3-chlorophenyl)-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione (CID 170716828) is 5-[5-(3-chlorophenyl)-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[5-(3-chlorophenyl)-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[5-(3-chlorophenyl)-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2cc(-c3cccc(Cl)c3)c(=O)n(-c3cccnc3)c2)c(=O)[nH]1.
What is the InChIKey of 5-[5-(3-chlorophenyl)-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione?
The InChIKey is XOPZNMANGWUPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN4O3/c21-14-4-1-3-12(7-14)16-8-13(17-10-23-20(28)24-18(17)26)11-25(19(16)27)15-5-2-6-22-9-15/h1-11H,(H2,23,24,26,28).
What are the key properties of 5-[5-(3-chlorophenyl)-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione?
5-[5-(3-chlorophenyl)-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione has a molecular weight of 392.80 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3-chlorophenyl)-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 170716828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).