N-butyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

C12H15F3N2O — CID 78883116

IUPACN-butyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1ccccn1
InChIInChI=1S/C12H15F3N2O/c1-2-3-8-17(9-12(13,14)15)11(18)10-6-4-5-7-16-10/h4-7H,2-3,8-9H2,1H3
InChIKeyHANXEOAZPNRHJD-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.89
Rot. Bonds5

About N-butyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

N-butyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (PubChem CID 78883116) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is N-butyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
PubChem CID78883116
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC NameN-butyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1ccccn1
InChIInChI=1S/C12H15F3N2O/c1-2-3-8-17(9-12(13,14)15)11(18)10-6-4-5-7-16-10/h4-7H,2-3,8-9H2,1H3
InChIKeyHANXEOAZPNRHJD-UHFFFAOYSA-N
XLogP2.89
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62235473
4-[butyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-2-carboxylic acid
CID 119181552
N-benzyl-N-octylpyridine-2-carboxamide
CID 42778827
N-butyl-N-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 78884593
N-butyl-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 113240838
4-amino-N-butyl-N-(2,2,2-trifluoroethyl)benzamide
CID 54906063
N-butyl-2-(3-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 52789665
N-butyl-2-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 80719091
N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 63047508
N-butyl-3-chloro-N-(2,2,2-trifluoroethyl)benzamide
CID 78883501
4-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62180104
3-bromo-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 60778389

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The IUPAC name of N-butyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (CID 78883116) is N-butyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-butyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The canonical SMILES for N-butyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is CCCCN(CC(F)(F)F)C(=O)c1ccccn1.
What is the InChIKey of N-butyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The InChIKey is HANXEOAZPNRHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-2-3-8-17(9-12(13,14)15)11(18)10-6-4-5-7-16-10/h4-7H,2-3,8-9H2,1H3.
What are the key properties of N-butyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
N-butyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide has a molecular weight of 260.26 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 78883116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).