N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide

C17H14F6N4O2 — CID 55932397

IUPACN-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESO=C(CNC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)NCC(F)(F)F
InChIInChI=1S/C17H14F6N4O2/c18-16(19,20)9-26-13(28)8-25-15(29)12-5-2-6-24-14(12)27-11-4-1-3-10(7-11)17(21,22)23/h1-7H,8-9H2,(H,24,27)(H,25,29)(H,26,28)
InChIKeyZAHRAZHIOFZHSV-UHFFFAOYSA-N
MW420.31 g/mol
LogP3.25
Rot. Bonds6

About N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide

N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 55932397) has the molecular formula C17H14F6N4O2 and a molecular weight of 420.31 g/mol. Its IUPAC name is N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
PubChem CID55932397
Molecular FormulaC17H14F6N4O2
Molecular Weight420.31 g/mol
Exact Mass420.10
IUPAC NameN-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESO=C(CNC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)NCC(F)(F)F
InChIInChI=1S/C17H14F6N4O2/c18-16(19,20)9-26-13(28)8-25-15(29)12-5-2-6-24-14(12)27-11-4-1-3-10(7-11)17(21,22)23/h1-7H,8-9H2,(H,24,27)(H,25,29)(H,26,28)
InChIKeyZAHRAZHIOFZHSV-UHFFFAOYSA-N
XLogP3.25
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.31
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 1263788
2-dimethoxyphosphoryl-1-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]ethanone
CID 89290625
[2-(ethylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 2365493
N'-(1H-pyrrole-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide
CID 78813930
N-ethyl-N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 78796215
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide;hydrochloride
CID 119455649
N-[(E)-(3-chlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 71722152
[2-(tert-butylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 2363934
N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 119450033
N-methyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 56509980
N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide
CID 55416374
2,2-dimethylpropanoyloxymethyl 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 12673423

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 55932397) is N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is O=C(CNC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)NCC(F)(F)F.
What is the InChIKey of N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The InChIKey is ZAHRAZHIOFZHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6N4O2/c18-16(19,20)9-26-13(28)8-25-15(29)12-5-2-6-24-14(12)27-11-4-1-3-10(7-11)17(21,22)23/h1-7H,8-9H2,(H,24,27)(H,25,29)(H,26,28).
What are the key properties of N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide has a molecular weight of 420.31 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 55932397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).