N-(2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetohydrazide

C18H18F3N5O — CID 87891683

IUPACN-(2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetohydrazide
SMILESCC(C)CNN(C(=O)Cc1cccc(C(F)(F)F)c1)c1ccnc(C#N)n1
InChIInChI=1S/C18H18F3N5O/c1-12(2)11-24-26(16-6-7-23-15(10-22)25-16)17(27)9-13-4-3-5-14(8-13)18(19,20)21/h3-8,12,24H,9,11H2,1-2H3
InChIKeyIUKHOQQOMXDYNX-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.10
Rot. Bonds6

About N-(2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetohydrazide

N-(2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetohydrazide (PubChem CID 87891683) has the molecular formula C18H18F3N5O and a molecular weight of 377.37 g/mol. Its IUPAC name is N-(2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetohydrazide.

Molecular Properties

Compound NameN-(2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetohydrazide
PubChem CID87891683
Molecular FormulaC18H18F3N5O
Molecular Weight377.37 g/mol
Exact Mass377.15
IUPAC NameN-(2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetohydrazide
SMILESCC(C)CNN(C(=O)Cc1cccc(C(F)(F)F)c1)c1ccnc(C#N)n1
InChIInChI=1S/C18H18F3N5O/c1-12(2)11-24-26(16-6-7-23-15(10-22)25-16)17(27)9-13-4-3-5-14(8-13)18(19,20)21/h3-8,12,24H,9,11H2,1-2H3
InChIKeyIUKHOQQOMXDYNX-UHFFFAOYSA-N
XLogP3.10
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.10
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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Related Compounds

1-[(2-cyanopyrimidin-4-yl)-(2,2-dimethylpropyl)amino]-3-[3-(trifluoromethyl)phenyl]urea
CID 11598625
2-[2-methylpropyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid
CID 119192810
N-(1-cyanopropyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 54176693
3-[methyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid
CID 60988760
N-[(1R)-1-naphthalen-2-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8025350
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 11653462
N-(2-propan-2-ylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 30183310
3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 79617609
N-(1-amino-4-methylpentan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 119588010
methyl 2-[3-(trifluoromethyl)phenyl]acetate;molecular nitrogen
CID 175534080
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 60535017
N-(1-hydroxypropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 43418851

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetohydrazide?
The IUPAC name of N-(2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetohydrazide (CID 87891683) is N-(2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetohydrazide.
What is the SMILES notation for N-(2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetohydrazide?
The canonical SMILES for N-(2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetohydrazide is CC(C)CNN(C(=O)Cc1cccc(C(F)(F)F)c1)c1ccnc(C#N)n1.
What is the InChIKey of N-(2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetohydrazide?
The InChIKey is IUKHOQQOMXDYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O/c1-12(2)11-24-26(16-6-7-23-15(10-22)25-16)17(27)9-13-4-3-5-14(8-13)18(19,20)21/h3-8,12,24H,9,11H2,1-2H3.
What are the key properties of N-(2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetohydrazide?
N-(2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetohydrazide has a molecular weight of 377.37 g/mol, XLogP of 3.10, 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)-N'-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetohydrazide is sourced from PubChem (CID 87891683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).