N'-(2-cyanopyrimidin-4-yl)-2-(4-fluorophenyl)-N'-(2-methylpropyl)acetohydrazide

C17H18FN5O — CID 11702619

IUPACN'-(2-cyanopyrimidin-4-yl)-2-(4-fluorophenyl)-N'-(2-methylpropyl)acetohydrazide
SMILESCC(C)CN(NC(=O)Cc1ccc(F)cc1)c1ccnc(C#N)n1
InChIInChI=1S/C17H18FN5O/c1-12(2)11-23(16-7-8-20-15(10-19)21-16)22-17(24)9-13-3-5-14(18)6-4-13/h3-8,12H,9,11H2,1-2H3,(H,22,24)
InChIKeyUZXPWXJTAVBSKD-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.22
Rot. Bonds6

About N'-(2-cyanopyrimidin-4-yl)-2-(4-fluorophenyl)-N'-(2-methylpropyl)acetohydrazide

N'-(2-cyanopyrimidin-4-yl)-2-(4-fluorophenyl)-N'-(2-methylpropyl)acetohydrazide (PubChem CID 11702619) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is N'-(2-cyanopyrimidin-4-yl)-2-(4-fluorophenyl)-N'-(2-methylpropyl)acetohydrazide.

Molecular Properties

Compound NameN'-(2-cyanopyrimidin-4-yl)-2-(4-fluorophenyl)-N'-(2-methylpropyl)acetohydrazide
PubChem CID11702619
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC NameN'-(2-cyanopyrimidin-4-yl)-2-(4-fluorophenyl)-N'-(2-methylpropyl)acetohydrazide
SMILESCC(C)CN(NC(=O)Cc1ccc(F)cc1)c1ccnc(C#N)n1
InChIInChI=1S/C17H18FN5O/c1-12(2)11-23(16-7-8-20-15(10-19)21-16)22-17(24)9-13-3-5-14(18)6-4-13/h3-8,12H,9,11H2,1-2H3,(H,22,24)
InChIKeyUZXPWXJTAVBSKD-UHFFFAOYSA-N
XLogP2.22
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.22
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)-2-(4-fluorophenyl)-N'-(2-methylpropyl)acetohydrazide?
The IUPAC name of N'-(2-cyanopyrimidin-4-yl)-2-(4-fluorophenyl)-N'-(2-methylpropyl)acetohydrazide (CID 11702619) is N'-(2-cyanopyrimidin-4-yl)-2-(4-fluorophenyl)-N'-(2-methylpropyl)acetohydrazide.
What is the SMILES notation for N'-(2-cyanopyrimidin-4-yl)-2-(4-fluorophenyl)-N'-(2-methylpropyl)acetohydrazide?
The canonical SMILES for N'-(2-cyanopyrimidin-4-yl)-2-(4-fluorophenyl)-N'-(2-methylpropyl)acetohydrazide is CC(C)CN(NC(=O)Cc1ccc(F)cc1)c1ccnc(C#N)n1.
What is the InChIKey of N'-(2-cyanopyrimidin-4-yl)-2-(4-fluorophenyl)-N'-(2-methylpropyl)acetohydrazide?
The InChIKey is UZXPWXJTAVBSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c1-12(2)11-23(16-7-8-20-15(10-19)21-16)22-17(24)9-13-3-5-14(18)6-4-13/h3-8,12H,9,11H2,1-2H3,(H,22,24).
What are the key properties of N'-(2-cyanopyrimidin-4-yl)-2-(4-fluorophenyl)-N'-(2-methylpropyl)acetohydrazide?
N'-(2-cyanopyrimidin-4-yl)-2-(4-fluorophenyl)-N'-(2-methylpropyl)acetohydrazide has a molecular weight of 327.36 g/mol, XLogP of 2.22, 6 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)-2-(4-fluorophenyl)-N'-(2-methylpropyl)acetohydrazide is sourced from PubChem (CID 11702619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).