3-fluoro-N-[4-(trifluoromethylperoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide

C18H10F7N5O3 — CID 134240355

IUPAC3-fluoro-N-[4-(trifluoromethylperoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
SMILESO=C(Nc1cnccc1OOC(F)(F)F)c1ccnc(Nc2ccc(C(F)(F)F)cn2)c1F
InChIInChI=1S/C18H10F7N5O3/c19-14-10(16(31)29-11-8-26-5-4-12(11)32-33-18(23,24)25)3-6-27-15(14)30-13-2-1-9(7-28-13)17(20,21)22/h1-8H,(H,29,31)(H,27,28,30)
InChIKeyYNINTJYNGCDPMF-UHFFFAOYSA-N
MW477.30 g/mol
LogP4.86
Rot. Bonds6

About 3-fluoro-N-[4-(trifluoromethylperoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide

3-fluoro-N-[4-(trifluoromethylperoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide (PubChem CID 134240355) has the molecular formula C18H10F7N5O3 and a molecular weight of 477.30 g/mol. Its IUPAC name is 3-fluoro-N-[4-(trifluoromethylperoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(trifluoromethylperoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
PubChem CID134240355
Molecular FormulaC18H10F7N5O3
Molecular Weight477.30 g/mol
Exact Mass477.07
IUPAC Name3-fluoro-N-[4-(trifluoromethylperoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
SMILESO=C(Nc1cnccc1OOC(F)(F)F)c1ccnc(Nc2ccc(C(F)(F)F)cn2)c1F
InChIInChI=1S/C18H10F7N5O3/c19-14-10(16(31)29-11-8-26-5-4-12(11)32-33-18(23,24)25)3-6-27-15(14)30-13-2-1-9(7-28-13)17(20,21)22/h1-8H,(H,29,31)(H,27,28,30)
InChIKeyYNINTJYNGCDPMF-UHFFFAOYSA-N
XLogP4.86
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.30
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064272
N-(4-pyridin-2-yl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118072352
2-(ethylamino)-3-fluoro-N-(3-methyl-4-pyridinyl)pyridine-4-carboxamide
CID 105386333
N-[4-(benzenesulfinyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064155
3-chloro-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazin-2-amine
CID 169204837
2-fluoro-N-(3-fluoro-4-pyridinyl)-5-(trifluoromethyl)benzamide
CID 103874425
3-[(3-chloro-2-fluorobenzoyl)amino]pyridine-4-carboxylic acid
CID 81266249
3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 66464004
2-chloro-3-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 110860941
2-amino-3-fluoro-N-isoquinolin-5-ylpyridine-4-carboxamide
CID 105385052
N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
CID 153405710
N-[4-(1,2,2-trifluoroethoxy)-3-pyridinyl]-2-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidine-4-carboxamide
CID 175353421

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(trifluoromethylperoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[4-(trifluoromethylperoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide (CID 134240355) is 3-fluoro-N-[4-(trifluoromethylperoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[4-(trifluoromethylperoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[4-(trifluoromethylperoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide is O=C(Nc1cnccc1OOC(F)(F)F)c1ccnc(Nc2ccc(C(F)(F)F)cn2)c1F.
What is the InChIKey of 3-fluoro-N-[4-(trifluoromethylperoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The InChIKey is YNINTJYNGCDPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F7N5O3/c19-14-10(16(31)29-11-8-26-5-4-12(11)32-33-18(23,24)25)3-6-27-15(14)30-13-2-1-9(7-28-13)17(20,21)22/h1-8H,(H,29,31)(H,27,28,30).
What are the key properties of 3-fluoro-N-[4-(trifluoromethylperoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
3-fluoro-N-[4-(trifluoromethylperoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide has a molecular weight of 477.30 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(trifluoromethylperoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide is sourced from PubChem (CID 134240355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).