N-[2-(tert-butylhydrazinylidene)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide

C13H17F3N4O — CID 139979948

IUPACN-[2-(tert-butylhydrazinylidene)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)(C)NN=CCNC(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H17F3N4O/c1-12(2,3)20-19-7-6-18-11(21)9-8-17-5-4-10(9)13(14,15)16/h4-5,7-8,20H,6H2,1-3H3,(H,18,21)
InChIKeyDDZAKVHDKXHVFP-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.20
Rot. Bonds4

About N-[2-(tert-butylhydrazinylidene)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide

N-[2-(tert-butylhydrazinylidene)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 139979948) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is N-[2-(tert-butylhydrazinylidene)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylhydrazinylidene)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID139979948
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC NameN-[2-(tert-butylhydrazinylidene)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)(C)NN=CCNC(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H17F3N4O/c1-12(2,3)20-19-7-6-18-11(21)9-8-17-5-4-10(9)13(14,15)16/h4-5,7-8,20H,6H2,1-3H3,(H,18,21)
InChIKeyDDZAKVHDKXHVFP-UHFFFAOYSA-N
XLogP2.20
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(methoxymethoxyimino)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 139979934
4-(trifluoromethyl)-N-trimethylsilylpyridine-3-carboxamide
CID 170555219
4-(trifluoromethyl)-N'-(1,1,1-trifluoro-2-methylpent-4-en-2-yl)pyridine-3-carbohydrazide
CID 139983759
bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
N-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2726855
2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102709315
N-ethyl-3-(trifluoromethyl)pyridine-4-carboxamide
CID 142421392
ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 142909767
N',N'-bis(prop-2-ynyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide
CID 139983790
N-(2-benzylsulfonylethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 10406940
N-[(2-chloro-3-pyridinyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 87746830
N-(pyridin-2-ylmethylideneamino)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 139983800

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylhydrazinylidene)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(tert-butylhydrazinylidene)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide (CID 139979948) is N-[2-(tert-butylhydrazinylidene)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(tert-butylhydrazinylidene)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(tert-butylhydrazinylidene)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide is CC(C)(C)NN=CCNC(=O)c1cnccc1C(F)(F)F.
What is the InChIKey of N-[2-(tert-butylhydrazinylidene)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is DDZAKVHDKXHVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c1-12(2,3)20-19-7-6-18-11(21)9-8-17-5-4-10(9)13(14,15)16/h4-5,7-8,20H,6H2,1-3H3,(H,18,21).
What are the key properties of N-[2-(tert-butylhydrazinylidene)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
N-[2-(tert-butylhydrazinylidene)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylhydrazinylidene)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 139979948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).