N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-5-phenylfuran-2-carbohydrazide

C20H18BrN5O2 — CID 46915669

IUPACN'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-5-phenylfuran-2-carbohydrazide
SMILESCC(C)CN(NC(=O)c1ccc(-c2ccccc2)o1)c1nc(C#N)ncc1Br
InChIInChI=1S/C20H18BrN5O2/c1-13(2)12-26(19-15(21)11-23-18(10-22)24-19)25-20(27)17-9-8-16(28-17)14-6-4-3-5-7-14/h3-9,11,13H,12H2,1-2H3,(H,25,27)
InChIKeyKXONYPWSYJRFMW-UHFFFAOYSA-N
MW440.30 g/mol
LogP4.18
Rot. Bonds6

About N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-5-phenylfuran-2-carbohydrazide

N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-5-phenylfuran-2-carbohydrazide (PubChem CID 46915669) has the molecular formula C20H18BrN5O2 and a molecular weight of 440.30 g/mol. Its IUPAC name is N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-5-phenylfuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-5-phenylfuran-2-carbohydrazide
PubChem CID46915669
Molecular FormulaC20H18BrN5O2
Molecular Weight440.30 g/mol
Exact Mass439.06
IUPAC NameN'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-5-phenylfuran-2-carbohydrazide
SMILESCC(C)CN(NC(=O)c1ccc(-c2ccccc2)o1)c1nc(C#N)ncc1Br
InChIInChI=1S/C20H18BrN5O2/c1-13(2)12-26(19-15(21)11-23-18(10-22)24-19)25-20(27)17-9-8-16(28-17)14-6-4-3-5-7-14/h3-9,11,13H,12H2,1-2H3,(H,25,27)
InChIKeyKXONYPWSYJRFMW-UHFFFAOYSA-N
XLogP4.18
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.30
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-5-phenylfuran-2-carbohydrazide 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 N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-5-phenylfuran-2-carbohydrazide?
The IUPAC name of N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-5-phenylfuran-2-carbohydrazide (CID 46915669) is N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-5-phenylfuran-2-carbohydrazide.
What is the SMILES notation for N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-5-phenylfuran-2-carbohydrazide?
The canonical SMILES for N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-5-phenylfuran-2-carbohydrazide is CC(C)CN(NC(=O)c1ccc(-c2ccccc2)o1)c1nc(C#N)ncc1Br.
What is the InChIKey of N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-5-phenylfuran-2-carbohydrazide?
The InChIKey is KXONYPWSYJRFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN5O2/c1-13(2)12-26(19-15(21)11-23-18(10-22)24-19)25-20(27)17-9-8-16(28-17)14-6-4-3-5-7-14/h3-9,11,13H,12H2,1-2H3,(H,25,27).
What are the key properties of N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-5-phenylfuran-2-carbohydrazide?
N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-5-phenylfuran-2-carbohydrazide has a molecular weight of 440.30 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-5-phenylfuran-2-carbohydrazide is sourced from PubChem (CID 46915669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).