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

C23H19ClN4O4 — CID 155926652

IUPAC5-[5-(3-chloro-5-propoxyphenyl)-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione
SMILESCCCOc1cc(Cl)cc(-c2cc(-c3c[nH]c(=O)[nH]c3=O)cn(-c3cccnc3)c2=O)c1
InChIInChI=1S/C23H19ClN4O4/c1-2-6-32-18-8-14(7-16(24)10-18)19-9-15(20-12-26-23(31)27-21(20)29)13-28(22(19)30)17-4-3-5-25-11-17/h3-5,7-13H,2,6H2,1H3,(H2,26,27,29,31)
InChIKeyGJCBTWHGKCNYAB-UHFFFAOYSA-N
MW450.88 g/mol
LogP3.39
Rot. Bonds6

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

5-[5-(3-chloro-5-propoxyphenyl)-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione (PubChem CID 155926652) has the molecular formula C23H19ClN4O4 and a molecular weight of 450.88 g/mol. Its IUPAC name is 5-[5-(3-chloro-5-propoxyphenyl)-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[5-(3-chloro-5-propoxyphenyl)-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione
PubChem CID155926652
Molecular FormulaC23H19ClN4O4
Molecular Weight450.88 g/mol
Exact Mass450.11
IUPAC Name5-[5-(3-chloro-5-propoxyphenyl)-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione
SMILESCCCOc1cc(Cl)cc(-c2cc(-c3c[nH]c(=O)[nH]c3=O)cn(-c3cccnc3)c2=O)c1
InChIInChI=1S/C23H19ClN4O4/c1-2-6-32-18-8-14(7-16(24)10-18)19-9-15(20-12-26-23(31)27-21(20)29)13-28(22(19)30)17-4-3-5-25-11-17/h3-5,7-13H,2,6H2,1H3,(H2,26,27,29,31)
InChIKeyGJCBTWHGKCNYAB-UHFFFAOYSA-N
XLogP3.39
TPSA109.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.88
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-chloro-5-propoxyphenyl)-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[5-(3-chloro-5-propoxyphenyl)-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione (CID 155926652) is 5-[5-(3-chloro-5-propoxyphenyl)-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[5-(3-chloro-5-propoxyphenyl)-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[5-(3-chloro-5-propoxyphenyl)-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione is CCCOc1cc(Cl)cc(-c2cc(-c3c[nH]c(=O)[nH]c3=O)cn(-c3cccnc3)c2=O)c1.
What is the InChIKey of 5-[5-(3-chloro-5-propoxyphenyl)-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione?
The InChIKey is GJCBTWHGKCNYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O4/c1-2-6-32-18-8-14(7-16(24)10-18)19-9-15(20-12-26-23(31)27-21(20)29)13-28(22(19)30)17-4-3-5-25-11-17/h3-5,7-13H,2,6H2,1H3,(H2,26,27,29,31).
What are the key properties of 5-[5-(3-chloro-5-propoxyphenyl)-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione?
5-[5-(3-chloro-5-propoxyphenyl)-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione has a molecular weight of 450.88 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3-chloro-5-propoxyphenyl)-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 155926652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).