6-tert-butyl-N,N-dimethyl-4-(trifluoromethyl)pyridine-3-carboxamide

C13H17F3N2O — CID 121391254

IUPAC6-tert-butyl-N,N-dimethyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCN(C)C(=O)c1cnc(C(C)(C)C)cc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O/c1-12(2,3)10-6-9(13(14,15)16)8(7-17-10)11(19)18(4)5/h6-7H,1-5H3
InChIKeyLTZSHIHVNDMFBQ-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.10
Rot. Bonds1

About 6-tert-butyl-N,N-dimethyl-4-(trifluoromethyl)pyridine-3-carboxamide

6-tert-butyl-N,N-dimethyl-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 121391254) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 6-tert-butyl-N,N-dimethyl-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-N,N-dimethyl-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID121391254
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name6-tert-butyl-N,N-dimethyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCN(C)C(=O)c1cnc(C(C)(C)C)cc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O/c1-12(2,3)10-6-9(13(14,15)16)8(7-17-10)11(19)18(4)5/h6-7H,1-5H3
InChIKeyLTZSHIHVNDMFBQ-UHFFFAOYSA-N
XLogP3.10
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-5-iodo-4-(trifluoromethyl)pyridine
CID 121384489
6-ethyl-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 144787110
4-(cyclopropylmethyl)-N,N-dimethyl-2-(trifluoromethyl)benzamide
CID 165350746
tert-butyl-[2-[6-tert-butyl-4-(trifluoromethyl)-3-pyridinyl]ethynyl]-dimethylsilane
CID 123208436
N,6-ditert-butyl-4-methylpyridine-3-carboxamide
CID 121391265
2-chloro-5-hydroxy-N,N-dimethylpyridine-3-carboxamide
CID 10655673
2-tert-butyl-5-thiophen-3-yl-4-(trifluoromethyl)pyridine
CID 121384457
2-tert-butyl-5-(3-fluorophenyl)-4-(trifluoromethyl)pyridine
CID 121384491
6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2775313
N-[(4-chlorophenyl)methyl]-6-ethoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2726972
6-[(6-chloro-3-pyridinyl)oxy]-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 150863649
1-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoroethanone
CID 139628871

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N,N-dimethyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 6-tert-butyl-N,N-dimethyl-4-(trifluoromethyl)pyridine-3-carboxamide (CID 121391254) is 6-tert-butyl-N,N-dimethyl-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-tert-butyl-N,N-dimethyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-tert-butyl-N,N-dimethyl-4-(trifluoromethyl)pyridine-3-carboxamide is CN(C)C(=O)c1cnc(C(C)(C)C)cc1C(F)(F)F.
What is the InChIKey of 6-tert-butyl-N,N-dimethyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is LTZSHIHVNDMFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-12(2,3)10-6-9(13(14,15)16)8(7-17-10)11(19)18(4)5/h6-7H,1-5H3.
What are the key properties of 6-tert-butyl-N,N-dimethyl-4-(trifluoromethyl)pyridine-3-carboxamide?
6-tert-butyl-N,N-dimethyl-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 274.29 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N,N-dimethyl-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 121391254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).