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

C19H18F5N5O3 — CID 162556314

IUPAC4-fluoro-4-[3-fluoro-5-[(1R)-1-hydroxy-2-nitrosoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide
SMILESO=NC[C@H](O)c1cnc(C2(F)CCN(C(=O)Nc3ccc(C(F)(F)F)cn3)CC2)c(F)c1
InChIInChI=1S/C19H18F5N5O3/c20-13-7-11(14(30)10-27-32)8-26-16(13)18(21)3-5-29(6-4-18)17(31)28-15-2-1-12(9-25-15)19(22,23)24/h1-2,7-9,14,30H,3-6,10H2,(H,25,28,31)/t14-/m0/s1
InChIKeyVYZJPULHLSKLQO-AWEZNQCLSA-N
MW459.38 g/mol
LogP3.93
Rot. Bonds5

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

4-fluoro-4-[3-fluoro-5-[(1R)-1-hydroxy-2-nitrosoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide (PubChem CID 162556314) has the molecular formula C19H18F5N5O3 and a molecular weight of 459.38 g/mol. Its IUPAC name is 4-fluoro-4-[3-fluoro-5-[(1R)-1-hydroxy-2-nitrosoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-4-[3-fluoro-5-[(1R)-1-hydroxy-2-nitrosoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide
PubChem CID162556314
Molecular FormulaC19H18F5N5O3
Molecular Weight459.38 g/mol
Exact Mass459.13
IUPAC Name4-fluoro-4-[3-fluoro-5-[(1R)-1-hydroxy-2-nitrosoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide
SMILESO=NC[C@H](O)c1cnc(C2(F)CCN(C(=O)Nc3ccc(C(F)(F)F)cn3)CC2)c(F)c1
InChIInChI=1S/C19H18F5N5O3/c20-13-7-11(14(30)10-27-32)8-26-16(13)18(21)3-5-29(6-4-18)17(31)28-15-2-1-12(9-25-15)19(22,23)24/h1-2,7-9,14,30H,3-6,10H2,(H,25,28,31)/t14-/m0/s1
InChIKeyVYZJPULHLSKLQO-AWEZNQCLSA-N
XLogP3.93
TPSA107.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.38
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

4-fluoro-4-[3-fluoro-5-(2-hydroxyethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide
CID 135254425
4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 25104486
4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[5-(fluoromethyl)-2-pyridinyl]piperidine-1-carboxamide
CID 121399859
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
1-[5-(1,2-dihydroxyethyl)-3-fluoro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 77459776
4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-(trifluoromethylsulfonyl)phenyl]piperidine-1-carboxamide;N-[3-chloro-4-(trifluoromethyl)phenyl]-4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoropiperidine-1-carboxamide
CID 162052613
4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 11349537
4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-(1,2-dihydroxyethyl)-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 158282339
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
(3,3-dimethylpyrrolidin-1-yl)-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone
CID 126773642
(2S,4R)-4-hydroxy-N-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 67953443

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-[3-fluoro-5-[(1R)-1-hydroxy-2-nitrosoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide?
The IUPAC name of 4-fluoro-4-[3-fluoro-5-[(1R)-1-hydroxy-2-nitrosoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide (CID 162556314) is 4-fluoro-4-[3-fluoro-5-[(1R)-1-hydroxy-2-nitrosoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-fluoro-4-[3-fluoro-5-[(1R)-1-hydroxy-2-nitrosoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide?
The canonical SMILES for 4-fluoro-4-[3-fluoro-5-[(1R)-1-hydroxy-2-nitrosoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide is O=NC[C@H](O)c1cnc(C2(F)CCN(C(=O)Nc3ccc(C(F)(F)F)cn3)CC2)c(F)c1.
What is the InChIKey of 4-fluoro-4-[3-fluoro-5-[(1R)-1-hydroxy-2-nitrosoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide?
The InChIKey is VYZJPULHLSKLQO-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18F5N5O3/c20-13-7-11(14(30)10-27-32)8-26-16(13)18(21)3-5-29(6-4-18)17(31)28-15-2-1-12(9-25-15)19(22,23)24/h1-2,7-9,14,30H,3-6,10H2,(H,25,28,31)/t14-/m0/s1.
What are the key properties of 4-fluoro-4-[3-fluoro-5-[(1R)-1-hydroxy-2-nitrosoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide?
4-fluoro-4-[3-fluoro-5-[(1R)-1-hydroxy-2-nitrosoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide has a molecular weight of 459.38 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[3-fluoro-5-[(1R)-1-hydroxy-2-nitrosoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide is sourced from PubChem (CID 162556314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).