5-[3-(3-butoxy-5-chlorophenyl)-2,6-dioxo-1-pyridin-3-yl-3H-pyridin-5-yl]-1,3-diazinane-2,4-dione

C24H23ClN4O5 — CID 155803125

IUPAC5-[3-(3-butoxy-5-chlorophenyl)-2,6-dioxo-1-pyridin-3-yl-3H-pyridin-5-yl]-1,3-diazinane-2,4-dione
SMILESCCCCOc1cc(Cl)cc(C2C=C(C3CNC(=O)NC3=O)C(=O)N(c3cccnc3)C2=O)c1
InChIInChI=1S/C24H23ClN4O5/c1-2-3-7-34-17-9-14(8-15(25)10-17)18-11-19(20-13-27-24(33)28-21(20)30)23(32)29(22(18)31)16-5-4-6-26-12-16/h4-6,8-12,18,20H,2-3,7,13H2,1H3,(H2,27,28,30,33)
InChIKeyOKZRQADXQBWNKB-UHFFFAOYSA-N
MW482.92 g/mol
LogP2.95
Rot. Bonds7

About 5-[3-(3-butoxy-5-chlorophenyl)-2,6-dioxo-1-pyridin-3-yl-3H-pyridin-5-yl]-1,3-diazinane-2,4-dione

5-[3-(3-butoxy-5-chlorophenyl)-2,6-dioxo-1-pyridin-3-yl-3H-pyridin-5-yl]-1,3-diazinane-2,4-dione (PubChem CID 155803125) has the molecular formula C24H23ClN4O5 and a molecular weight of 482.92 g/mol. Its IUPAC name is 5-[3-(3-butoxy-5-chlorophenyl)-2,6-dioxo-1-pyridin-3-yl-3H-pyridin-5-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-[3-(3-butoxy-5-chlorophenyl)-2,6-dioxo-1-pyridin-3-yl-3H-pyridin-5-yl]-1,3-diazinane-2,4-dione
PubChem CID155803125
Molecular FormulaC24H23ClN4O5
Molecular Weight482.92 g/mol
Exact Mass482.14
IUPAC Name5-[3-(3-butoxy-5-chlorophenyl)-2,6-dioxo-1-pyridin-3-yl-3H-pyridin-5-yl]-1,3-diazinane-2,4-dione
SMILESCCCCOc1cc(Cl)cc(C2C=C(C3CNC(=O)NC3=O)C(=O)N(c3cccnc3)C2=O)c1
InChIInChI=1S/C24H23ClN4O5/c1-2-3-7-34-17-9-14(8-15(25)10-17)18-11-19(20-13-27-24(33)28-21(20)30)23(32)29(22(18)31)16-5-4-6-26-12-16/h4-6,8-12,18,20H,2-3,7,13H2,1H3,(H2,27,28,30,33)
InChIKeyOKZRQADXQBWNKB-UHFFFAOYSA-N
XLogP2.95
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.92
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-butoxy-5-chlorophenyl)-2,6-dioxo-1-pyridin-3-yl-3H-pyridin-5-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-[3-(3-butoxy-5-chlorophenyl)-2,6-dioxo-1-pyridin-3-yl-3H-pyridin-5-yl]-1,3-diazinane-2,4-dione (CID 155803125) is 5-[3-(3-butoxy-5-chlorophenyl)-2,6-dioxo-1-pyridin-3-yl-3H-pyridin-5-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-[3-(3-butoxy-5-chlorophenyl)-2,6-dioxo-1-pyridin-3-yl-3H-pyridin-5-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-[3-(3-butoxy-5-chlorophenyl)-2,6-dioxo-1-pyridin-3-yl-3H-pyridin-5-yl]-1,3-diazinane-2,4-dione is CCCCOc1cc(Cl)cc(C2C=C(C3CNC(=O)NC3=O)C(=O)N(c3cccnc3)C2=O)c1.
What is the InChIKey of 5-[3-(3-butoxy-5-chlorophenyl)-2,6-dioxo-1-pyridin-3-yl-3H-pyridin-5-yl]-1,3-diazinane-2,4-dione?
The InChIKey is OKZRQADXQBWNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O5/c1-2-3-7-34-17-9-14(8-15(25)10-17)18-11-19(20-13-27-24(33)28-21(20)30)23(32)29(22(18)31)16-5-4-6-26-12-16/h4-6,8-12,18,20H,2-3,7,13H2,1H3,(H2,27,28,30,33).
What are the key properties of 5-[3-(3-butoxy-5-chlorophenyl)-2,6-dioxo-1-pyridin-3-yl-3H-pyridin-5-yl]-1,3-diazinane-2,4-dione?
5-[3-(3-butoxy-5-chlorophenyl)-2,6-dioxo-1-pyridin-3-yl-3H-pyridin-5-yl]-1,3-diazinane-2,4-dione has a molecular weight of 482.92 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-butoxy-5-chlorophenyl)-2,6-dioxo-1-pyridin-3-yl-3H-pyridin-5-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 155803125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).