N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-fluorobenzohydrazide

C17H18FN5O — CID 11587914

IUPACN'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-fluorobenzohydrazide
SMILESCC(C)(C)CN(NC(=O)c1ccc(F)cc1)c1ccnc(C#N)n1
InChIInChI=1S/C17H18FN5O/c1-17(2,3)11-23(15-8-9-20-14(10-19)21-15)22-16(24)12-4-6-13(18)7-5-12/h4-9H,11H2,1-3H3,(H,22,24)
InChIKeyZXSUABOUEQMVRR-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.68
Rot. Bonds4

About N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-fluorobenzohydrazide

N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-fluorobenzohydrazide (PubChem CID 11587914) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-fluorobenzohydrazide
PubChem CID11587914
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC NameN'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-fluorobenzohydrazide
SMILESCC(C)(C)CN(NC(=O)c1ccc(F)cc1)c1ccnc(C#N)n1
InChIInChI=1S/C17H18FN5O/c1-17(2,3)11-23(15-8-9-20-14(10-19)21-15)22-16(24)12-4-6-13(18)7-5-12/h4-9H,11H2,1-3H3,(H,22,24)
InChIKeyZXSUABOUEQMVRR-UHFFFAOYSA-N
XLogP2.68
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-fluorobenzohydrazide?
The IUPAC name of N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-fluorobenzohydrazide (CID 11587914) is N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-fluorobenzohydrazide.
What is the SMILES notation for N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-fluorobenzohydrazide?
The canonical SMILES for N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-fluorobenzohydrazide is CC(C)(C)CN(NC(=O)c1ccc(F)cc1)c1ccnc(C#N)n1.
What is the InChIKey of N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-fluorobenzohydrazide?
The InChIKey is ZXSUABOUEQMVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c1-17(2,3)11-23(15-8-9-20-14(10-19)21-15)22-16(24)12-4-6-13(18)7-5-12/h4-9H,11H2,1-3H3,(H,22,24).
What are the key properties of N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-fluorobenzohydrazide?
N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-fluorobenzohydrazide has a molecular weight of 327.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-fluorobenzohydrazide is sourced from PubChem (CID 11587914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).