N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-3,4-difluorobenzohydrazide

C17H17F2N5O — CID 11674609

IUPACN'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-3,4-difluorobenzohydrazide
SMILESCC(C)(C)CN(NC(=O)c1ccc(F)c(F)c1)c1ccnc(C#N)n1
InChIInChI=1S/C17H17F2N5O/c1-17(2,3)10-24(15-6-7-21-14(9-20)22-15)23-16(25)11-4-5-12(18)13(19)8-11/h4-8H,10H2,1-3H3,(H,23,25)
InChIKeyHSSDERKOALADBG-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.82
Rot. Bonds4

About N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-3,4-difluorobenzohydrazide

N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-3,4-difluorobenzohydrazide (PubChem CID 11674609) has the molecular formula C17H17F2N5O and a molecular weight of 345.35 g/mol. Its IUPAC name is N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-3,4-difluorobenzohydrazide.

Molecular Properties

Compound NameN'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-3,4-difluorobenzohydrazide
PubChem CID11674609
Molecular FormulaC17H17F2N5O
Molecular Weight345.35 g/mol
Exact Mass345.14
IUPAC NameN'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-3,4-difluorobenzohydrazide
SMILESCC(C)(C)CN(NC(=O)c1ccc(F)c(F)c1)c1ccnc(C#N)n1
InChIInChI=1S/C17H17F2N5O/c1-17(2,3)10-24(15-6-7-21-14(9-20)22-15)23-16(25)11-4-5-12(18)13(19)8-11/h4-8H,10H2,1-3H3,(H,23,25)
InChIKeyHSSDERKOALADBG-UHFFFAOYSA-N
XLogP2.82
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.82
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)-3,4-difluorobenzohydrazide?
The IUPAC name of N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-3,4-difluorobenzohydrazide (CID 11674609) is N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-3,4-difluorobenzohydrazide.
What is the SMILES notation for N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-3,4-difluorobenzohydrazide?
The canonical SMILES for N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-3,4-difluorobenzohydrazide is CC(C)(C)CN(NC(=O)c1ccc(F)c(F)c1)c1ccnc(C#N)n1.
What is the InChIKey of N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-3,4-difluorobenzohydrazide?
The InChIKey is HSSDERKOALADBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O/c1-17(2,3)10-24(15-6-7-21-14(9-20)22-15)23-16(25)11-4-5-12(18)13(19)8-11/h4-8H,10H2,1-3H3,(H,23,25).
What are the key properties of N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-3,4-difluorobenzohydrazide?
N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-3,4-difluorobenzohydrazide has a molecular weight of 345.35 g/mol, XLogP of 2.82, 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)-3,4-difluorobenzohydrazide is sourced from PubChem (CID 11674609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).