N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C16H11F6N3O2 — CID 43055984

IUPACN-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)cc1
InChIInChI=1S/C16H11F6N3O2/c17-15(18,19)8-24-13(26)9-1-4-11(5-2-9)25-14(27)10-3-6-12(23-7-10)16(20,21)22/h1-7H,8H2,(H,24,26)(H,25,27)
InChIKeyRLFMOPPZZWTLIY-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.64
Rot. Bonds4

About N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 43055984) has the molecular formula C16H11F6N3O2 and a molecular weight of 391.27 g/mol. Its IUPAC name is N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID43055984
Molecular FormulaC16H11F6N3O2
Molecular Weight391.27 g/mol
Exact Mass391.08
IUPAC NameN-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)cc1
InChIInChI=1S/C16H11F6N3O2/c17-15(18,19)8-24-13(26)9-1-4-11(5-2-9)25-14(27)10-3-6-12(23-7-10)16(20,21)22/h1-7H,8H2,(H,24,26)(H,25,27)
InChIKeyRLFMOPPZZWTLIY-UHFFFAOYSA-N
XLogP3.64
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(hydroxymethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 64794112
N-[4-(propan-2-ylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 131941411
N-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33174489
6-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 82707407
N-(4-butylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33163993
4-(carbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 47137889
6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 55509070
2-ethyl-2-[[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]butanoic acid
CID 120533315
6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 10013611
6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride
CID 175168012
2-methyl-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 62676946
N-(3-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 24685793

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 43055984) is N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide is O=C(NCC(F)(F)F)c1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)cc1.
What is the InChIKey of N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is RLFMOPPZZWTLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F6N3O2/c17-15(18,19)8-24-13(26)9-1-4-11(5-2-9)25-14(27)10-3-6-12(23-7-10)16(20,21)22/h1-7H,8H2,(H,24,26)(H,25,27).
What are the key properties of N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 391.27 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 43055984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).