N'-[2-cyano-6-(trifluoromethyl)pyrimidin-4-yl]-N'-(2,2-dimethylpropyl)pyridine-3-carbohydrazide

C17H17F3N6O — CID 11667995

IUPACN'-[2-cyano-6-(trifluoromethyl)pyrimidin-4-yl]-N'-(2,2-dimethylpropyl)pyridine-3-carbohydrazide
SMILESCC(C)(C)CN(NC(=O)c1cccnc1)c1cc(C(F)(F)F)nc(C#N)n1
InChIInChI=1S/C17H17F3N6O/c1-16(2,3)10-26(25-15(27)11-5-4-6-22-9-11)14-7-12(17(18,19)20)23-13(8-21)24-14/h4-7,9H,10H2,1-3H3,(H,25,27)
InChIKeyRVUYFVRZCJRARZ-UHFFFAOYSA-N
MW378.36 g/mol
LogP2.96
Rot. Bonds4

About N'-[2-cyano-6-(trifluoromethyl)pyrimidin-4-yl]-N'-(2,2-dimethylpropyl)pyridine-3-carbohydrazide

N'-[2-cyano-6-(trifluoromethyl)pyrimidin-4-yl]-N'-(2,2-dimethylpropyl)pyridine-3-carbohydrazide (PubChem CID 11667995) has the molecular formula C17H17F3N6O and a molecular weight of 378.36 g/mol. Its IUPAC name is N'-[2-cyano-6-(trifluoromethyl)pyrimidin-4-yl]-N'-(2,2-dimethylpropyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-cyano-6-(trifluoromethyl)pyrimidin-4-yl]-N'-(2,2-dimethylpropyl)pyridine-3-carbohydrazide
PubChem CID11667995
Molecular FormulaC17H17F3N6O
Molecular Weight378.36 g/mol
Exact Mass378.14
IUPAC NameN'-[2-cyano-6-(trifluoromethyl)pyrimidin-4-yl]-N'-(2,2-dimethylpropyl)pyridine-3-carbohydrazide
SMILESCC(C)(C)CN(NC(=O)c1cccnc1)c1cc(C(F)(F)F)nc(C#N)n1
InChIInChI=1S/C17H17F3N6O/c1-16(2,3)10-26(25-15(27)11-5-4-6-22-9-11)14-7-12(17(18,19)20)23-13(8-21)24-14/h4-7,9H,10H2,1-3H3,(H,25,27)
InChIKeyRVUYFVRZCJRARZ-UHFFFAOYSA-N
XLogP2.96
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-cyano-6-(trifluoromethyl)pyrimidin-4-yl]-N'-(2,2-dimethylpropyl)-4-[(4-methylpiperazin-1-yl)methyl]benzohydrazide
CID 11705833
N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-fluorobenzohydrazide
CID 11587914
N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)pyridine-3-carbohydrazide
CID 70316014
1-[(2-cyanopyrimidin-4-yl)-(2,2-dimethylpropyl)amino]-3-[3-(trifluoromethyl)phenyl]urea
CID 11598625
N'-(2-cyanopyrimidin-4-yl)-N'-(3,3-dimethylbutyl)-4-fluorobenzohydrazide
CID 70328072
N-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide
CID 39965447
N'-(2-hydroxyethyl)-N'-methylpyridine-3-carbohydrazide
CID 91621752
N'-benzyl-N'-phenylpyridine-3-carbohydrazide
CID 51156325
(3-fluoro-3-methylbutyl) pyridine-3-carboxylate
CID 146343265
2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1-pyridin-3-ylethanone
CID 168991838
N-methylpyridine-3-carboxamide chloride
CID 20976730
N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 91045435

Frequently Asked Questions

What is the IUPAC name of N'-[2-cyano-6-(trifluoromethyl)pyrimidin-4-yl]-N'-(2,2-dimethylpropyl)pyridine-3-carbohydrazide?
The IUPAC name of N'-[2-cyano-6-(trifluoromethyl)pyrimidin-4-yl]-N'-(2,2-dimethylpropyl)pyridine-3-carbohydrazide (CID 11667995) is N'-[2-cyano-6-(trifluoromethyl)pyrimidin-4-yl]-N'-(2,2-dimethylpropyl)pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[2-cyano-6-(trifluoromethyl)pyrimidin-4-yl]-N'-(2,2-dimethylpropyl)pyridine-3-carbohydrazide?
The canonical SMILES for N'-[2-cyano-6-(trifluoromethyl)pyrimidin-4-yl]-N'-(2,2-dimethylpropyl)pyridine-3-carbohydrazide is CC(C)(C)CN(NC(=O)c1cccnc1)c1cc(C(F)(F)F)nc(C#N)n1.
What is the InChIKey of N'-[2-cyano-6-(trifluoromethyl)pyrimidin-4-yl]-N'-(2,2-dimethylpropyl)pyridine-3-carbohydrazide?
The InChIKey is RVUYFVRZCJRARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6O/c1-16(2,3)10-26(25-15(27)11-5-4-6-22-9-11)14-7-12(17(18,19)20)23-13(8-21)24-14/h4-7,9H,10H2,1-3H3,(H,25,27).
What are the key properties of N'-[2-cyano-6-(trifluoromethyl)pyrimidin-4-yl]-N'-(2,2-dimethylpropyl)pyridine-3-carbohydrazide?
N'-[2-cyano-6-(trifluoromethyl)pyrimidin-4-yl]-N'-(2,2-dimethylpropyl)pyridine-3-carbohydrazide has a molecular weight of 378.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-cyano-6-(trifluoromethyl)pyrimidin-4-yl]-N'-(2,2-dimethylpropyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 11667995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).