4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide

C20H19F4N3O — CID 66884417

IUPAC4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
SMILESCC1CN(C(=O)Nc2cccnc2)CCC1=Cc1cccc(C(F)(F)F)c1F
InChIInChI=1S/C20H19F4N3O/c1-13-12-27(19(28)26-16-5-3-8-25-11-16)9-7-14(13)10-15-4-2-6-17(18(15)21)20(22,23)24/h2-6,8,10-11,13H,7,9,12H2,1H3,(H,26,28)
InChIKeyCLBPCYYCAQRJJU-UHFFFAOYSA-N
MW393.38 g/mol
LogP5.20
Rot. Bonds2

About 4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide

4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide (PubChem CID 66884417) has the molecular formula C20H19F4N3O and a molecular weight of 393.38 g/mol. Its IUPAC name is 4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
PubChem CID66884417
Molecular FormulaC20H19F4N3O
Molecular Weight393.38 g/mol
Exact Mass393.15
IUPAC Name4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
SMILESCC1CN(C(=O)Nc2cccnc2)CCC1=Cc1cccc(C(F)(F)F)c1F
InChIInChI=1S/C20H19F4N3O/c1-13-12-27(19(28)26-16-5-3-8-25-11-16)9-7-14(13)10-15-4-2-6-17(18(15)21)20(22,23)24/h2-6,8,10-11,13H,7,9,12H2,1H3,(H,26,28)
InChIKeyCLBPCYYCAQRJJU-UHFFFAOYSA-N
XLogP5.20
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.38
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[3-(1,1-difluoroethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66884378
4-[(3-chloro-4-fluorophenyl)methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66884636
4-[[3-[2-(3-fluorophenyl)ethoxy]phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66886122
4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66883931
4-[[4-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 66884470
(4E)-4-[[3-(cyclohex-3-en-1-ylmethoxy)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 67229064
4-[(3-fluorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 66883815
4-(bromomethylidene)-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66883942
4-formyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 110706402
4-methyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 3370606
3-methyl-N-(5-methyl-3-pyridinyl)-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 66885163
(4E)-3-methyl-N-pyridazin-3-yl-4-[[3-(4,4,4-trifluoro-2-methylbutoxy)phenyl]methylidene]piperidine-1-carboxamide
CID 66897615

Frequently Asked Questions

What is the IUPAC name of 4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide (CID 66884417) is 4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide is CC1CN(C(=O)Nc2cccnc2)CCC1=Cc1cccc(C(F)(F)F)c1F.
What is the InChIKey of 4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide?
The InChIKey is CLBPCYYCAQRJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N3O/c1-13-12-27(19(28)26-16-5-3-8-25-11-16)9-7-14(13)10-15-4-2-6-17(18(15)21)20(22,23)24/h2-6,8,10-11,13H,7,9,12H2,1H3,(H,26,28).
What are the key properties of 4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide?
4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide has a molecular weight of 393.38 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 66884417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).