N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-6-morpholin-4-ylpyridine-3-carbohydrazide

C19H22BrN7O2 — CID 46914203

IUPACN'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-6-morpholin-4-ylpyridine-3-carbohydrazide
SMILESCC(C)CN(NC(=O)c1ccc(N2CCOCC2)nc1)c1nc(C#N)ncc1Br
InChIInChI=1S/C19H22BrN7O2/c1-13(2)12-27(18-15(20)11-22-16(9-21)24-18)25-19(28)14-3-4-17(23-10-14)26-5-7-29-8-6-26/h3-4,10-11,13H,5-8,12H2,1-2H3,(H,25,28)
InChIKeyHGXUPMGWYBQEEX-UHFFFAOYSA-N
MW460.34 g/mol
LogP2.15
Rot. Bonds6

About N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-6-morpholin-4-ylpyridine-3-carbohydrazide

N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-6-morpholin-4-ylpyridine-3-carbohydrazide (PubChem CID 46914203) has the molecular formula C19H22BrN7O2 and a molecular weight of 460.34 g/mol. Its IUPAC name is N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-6-morpholin-4-ylpyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-6-morpholin-4-ylpyridine-3-carbohydrazide
PubChem CID46914203
Molecular FormulaC19H22BrN7O2
Molecular Weight460.34 g/mol
Exact Mass459.10
IUPAC NameN'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-6-morpholin-4-ylpyridine-3-carbohydrazide
SMILESCC(C)CN(NC(=O)c1ccc(N2CCOCC2)nc1)c1nc(C#N)ncc1Br
InChIInChI=1S/C19H22BrN7O2/c1-13(2)12-27(18-15(20)11-22-16(9-21)24-18)25-19(28)14-3-4-17(23-10-14)26-5-7-29-8-6-26/h3-4,10-11,13H,5-8,12H2,1-2H3,(H,25,28)
InChIKeyHGXUPMGWYBQEEX-UHFFFAOYSA-N
XLogP2.15
TPSA107.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-6-morpholin-4-ylpyridine-3-carbohydrazide?
The IUPAC name of N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-6-morpholin-4-ylpyridine-3-carbohydrazide (CID 46914203) is N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-6-morpholin-4-ylpyridine-3-carbohydrazide.
What is the SMILES notation for N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-6-morpholin-4-ylpyridine-3-carbohydrazide?
The canonical SMILES for N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-6-morpholin-4-ylpyridine-3-carbohydrazide is CC(C)CN(NC(=O)c1ccc(N2CCOCC2)nc1)c1nc(C#N)ncc1Br.
What is the InChIKey of N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-6-morpholin-4-ylpyridine-3-carbohydrazide?
The InChIKey is HGXUPMGWYBQEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN7O2/c1-13(2)12-27(18-15(20)11-22-16(9-21)24-18)25-19(28)14-3-4-17(23-10-14)26-5-7-29-8-6-26/h3-4,10-11,13H,5-8,12H2,1-2H3,(H,25,28).
What are the key properties of N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-6-morpholin-4-ylpyridine-3-carbohydrazide?
N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-6-morpholin-4-ylpyridine-3-carbohydrazide has a molecular weight of 460.34 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-6-morpholin-4-ylpyridine-3-carbohydrazide is sourced from PubChem (CID 46914203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).