4-fluoro-4-[3-fluoro-5-(2-hydroxyethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide

C19H19F5N4O2 — CID 135254425

IUPAC4-fluoro-4-[3-fluoro-5-(2-hydroxyethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cn1)N1CCC(F)(c2ncc(CCO)cc2F)CC1
InChIInChI=1S/C19H19F5N4O2/c20-14-9-12(3-8-29)10-26-16(14)18(21)4-6-28(7-5-18)17(30)27-15-2-1-13(11-25-15)19(22,23)24/h1-2,9-11,29H,3-8H2,(H,25,27,30)
InChIKeyLIMJIFMUAIFCIH-UHFFFAOYSA-N
MW430.38 g/mol
LogP3.66
Rot. Bonds4

About 4-fluoro-4-[3-fluoro-5-(2-hydroxyethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide

4-fluoro-4-[3-fluoro-5-(2-hydroxyethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide (PubChem CID 135254425) has the molecular formula C19H19F5N4O2 and a molecular weight of 430.38 g/mol. Its IUPAC name is 4-fluoro-4-[3-fluoro-5-(2-hydroxyethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-4-[3-fluoro-5-(2-hydroxyethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide
PubChem CID135254425
Molecular FormulaC19H19F5N4O2
Molecular Weight430.38 g/mol
Exact Mass430.14
IUPAC Name4-fluoro-4-[3-fluoro-5-(2-hydroxyethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cn1)N1CCC(F)(c2ncc(CCO)cc2F)CC1
InChIInChI=1S/C19H19F5N4O2/c20-14-9-12(3-8-29)10-26-16(14)18(21)4-6-28(7-5-18)17(30)27-15-2-1-13(11-25-15)19(22,23)24/h1-2,9-11,29H,3-8H2,(H,25,27,30)
InChIKeyLIMJIFMUAIFCIH-UHFFFAOYSA-N
XLogP3.66
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-4-[3-fluoro-5-(2-hydroxyethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide with MolForge

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Related Compounds

4-fluoro-4-[3-fluoro-5-[(1R)-1-hydroxy-2-nitrosoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide
CID 162556314
4-[5-(2-hydroxyethyl)-3-methyl-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 162544817
4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[5-(fluoromethyl)-2-pyridinyl]piperidine-1-carboxamide
CID 121399859
4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 25104486
4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 11349537
azane;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;(1S)-1-[5-chloro-6-(4-fluoropiperidin-4-yl)-3-pyridinyl]ethane-1,2-diol;1-isocyanato-4-(trifluoromethyl)benzene
CID 158896849
4-[3-chloro-5-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-2-pyridinyl]-4-fluoro-N-(5-methyl-2-pyridinyl)piperidine-1-carboxamide
CID 90380928
4-(3-chloro-2-pyridinyl)-4-fluoro-N-(5-methyl-2-pyridinyl)piperidine-1-carboxamide;methane
CID 161177971
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-(trifluoromethyl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide
CID 20598003
N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[5-(2-hydroxyethyl)-3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 89330447
2-[3-(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 67361056
4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;methane
CID 159531960

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-[3-fluoro-5-(2-hydroxyethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide?
The IUPAC name of 4-fluoro-4-[3-fluoro-5-(2-hydroxyethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide (CID 135254425) is 4-fluoro-4-[3-fluoro-5-(2-hydroxyethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-fluoro-4-[3-fluoro-5-(2-hydroxyethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide?
The canonical SMILES for 4-fluoro-4-[3-fluoro-5-(2-hydroxyethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)cn1)N1CCC(F)(c2ncc(CCO)cc2F)CC1.
What is the InChIKey of 4-fluoro-4-[3-fluoro-5-(2-hydroxyethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide?
The InChIKey is LIMJIFMUAIFCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F5N4O2/c20-14-9-12(3-8-29)10-26-16(14)18(21)4-6-28(7-5-18)17(30)27-15-2-1-13(11-25-15)19(22,23)24/h1-2,9-11,29H,3-8H2,(H,25,27,30).
What are the key properties of 4-fluoro-4-[3-fluoro-5-(2-hydroxyethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide?
4-fluoro-4-[3-fluoro-5-(2-hydroxyethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide has a molecular weight of 430.38 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[3-fluoro-5-(2-hydroxyethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide is sourced from PubChem (CID 135254425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).