2-[4-[[1-[(4-chlorophenyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-4-carbonitrile

C24H19ClN6O3 — CID 118945710

IUPAC2-[4-[[1-[(4-chlorophenyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-4-carbonitrile
SMILESCCn1c(=O)nc(Nc2ccc(Oc3cc(C#N)ccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C24H19ClN6O3/c1-2-30-23(32)29-22(31(24(30)33)15-16-3-5-18(25)6-4-16)28-19-7-9-20(10-8-19)34-21-13-17(14-26)11-12-27-21/h3-13H,2,15H2,1H3,(H,28,29,32)
InChIKeyKUOFAFWNEPTBIS-UHFFFAOYSA-N
MW474.91 g/mol
LogP3.93
Rot. Bonds7

About 2-[4-[[1-[(4-chlorophenyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-4-carbonitrile

2-[4-[[1-[(4-chlorophenyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-4-carbonitrile (PubChem CID 118945710) has the molecular formula C24H19ClN6O3 and a molecular weight of 474.91 g/mol. Its IUPAC name is 2-[4-[[1-[(4-chlorophenyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-[[1-[(4-chlorophenyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-4-carbonitrile
PubChem CID118945710
Molecular FormulaC24H19ClN6O3
Molecular Weight474.91 g/mol
Exact Mass474.12
IUPAC Name2-[4-[[1-[(4-chlorophenyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-4-carbonitrile
SMILESCCn1c(=O)nc(Nc2ccc(Oc3cc(C#N)ccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C24H19ClN6O3/c1-2-30-23(32)29-22(31(24(30)33)15-16-3-5-18(25)6-4-16)28-19-7-9-20(10-8-19)34-21-13-17(14-26)11-12-27-21/h3-13H,2,15H2,1H3,(H,28,29,32)
InChIKeyKUOFAFWNEPTBIS-UHFFFAOYSA-N
XLogP3.93
TPSA114.83 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.91
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[4-[[1-[(4-chlorophenyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-[(4-chlorophenyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-[[1-[(4-chlorophenyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-4-carbonitrile (CID 118945710) is 2-[4-[[1-[(4-chlorophenyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-[[1-[(4-chlorophenyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-[[1-[(4-chlorophenyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-4-carbonitrile is CCn1c(=O)nc(Nc2ccc(Oc3cc(C#N)ccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O.
What is the InChIKey of 2-[4-[[1-[(4-chlorophenyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-4-carbonitrile?
The InChIKey is KUOFAFWNEPTBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN6O3/c1-2-30-23(32)29-22(31(24(30)33)15-16-3-5-18(25)6-4-16)28-19-7-9-20(10-8-19)34-21-13-17(14-26)11-12-27-21/h3-13H,2,15H2,1H3,(H,28,29,32).
What are the key properties of 2-[4-[[1-[(4-chlorophenyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-4-carbonitrile?
2-[4-[[1-[(4-chlorophenyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-4-carbonitrile has a molecular weight of 474.91 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-[(4-chlorophenyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-4-carbonitrile is sourced from PubChem (CID 118945710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).