4-[(3,4-difluorophenyl)methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide

C20H21F2N3O2 — CID 66884318

IUPAC4-[(3,4-difluorophenyl)methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(=Cc3ccc(F)c(F)c3)C(C)C2)cn1
InChIInChI=1S/C20H21F2N3O2/c1-13-12-25(20(26)24-16-4-6-19(27-2)23-11-16)8-7-15(13)9-14-3-5-17(21)18(22)10-14/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,24,26)
InChIKeyHIXXMCZRZWPSAI-UHFFFAOYSA-N
MW373.40 g/mol
LogP4.33
Rot. Bonds3

About 4-[(3,4-difluorophenyl)methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide

4-[(3,4-difluorophenyl)methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide (PubChem CID 66884318) has the molecular formula C20H21F2N3O2 and a molecular weight of 373.40 g/mol. Its IUPAC name is 4-[(3,4-difluorophenyl)methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3,4-difluorophenyl)methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
PubChem CID66884318
Molecular FormulaC20H21F2N3O2
Molecular Weight373.40 g/mol
Exact Mass373.16
IUPAC Name4-[(3,4-difluorophenyl)methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(=Cc3ccc(F)c(F)c3)C(C)C2)cn1
InChIInChI=1S/C20H21F2N3O2/c1-13-12-25(20(26)24-16-4-6-19(27-2)23-11-16)8-7-15(13)9-14-3-5-17(21)18(22)10-14/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,24,26)
InChIKeyHIXXMCZRZWPSAI-UHFFFAOYSA-N
XLogP4.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 66885355
4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 66885631
4-[(3-chloro-4-fluorophenyl)methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66884636
(4E)-N-(6-cyano-3-pyridinyl)-4-[[3-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]methylidene]-3-methylpiperidine-1-carboxamide
CID 66885420
4-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)-3-methylpiperidine-1-carboxamide
CID 66884258
3-methyl-N-(5-methyl-3-pyridinyl)-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 66885163
N-(6-cyano-3-pyridinyl)-3-methyl-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 66885242
3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(1-phenylpropan-2-yloxy)phenyl]methylidene]piperidine-1-carboxamide
CID 66886029
4-[[3-(1,1-difluoroethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66884378
4-[[3-[2-(3-fluorophenyl)ethoxy]phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66886122
4-[2-(4-chlorophenyl)acetyl]-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide
CID 136577034
3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide
CID 66885876

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-difluorophenyl)methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[(3,4-difluorophenyl)methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide (CID 66884318) is 4-[(3,4-difluorophenyl)methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(3,4-difluorophenyl)methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(3,4-difluorophenyl)methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(=Cc3ccc(F)c(F)c3)C(C)C2)cn1.
What is the InChIKey of 4-[(3,4-difluorophenyl)methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide?
The InChIKey is HIXXMCZRZWPSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O2/c1-13-12-25(20(26)24-16-4-6-19(27-2)23-11-16)8-7-15(13)9-14-3-5-17(21)18(22)10-14/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,24,26).
What are the key properties of 4-[(3,4-difluorophenyl)methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide?
4-[(3,4-difluorophenyl)methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide has a molecular weight of 373.40 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-difluorophenyl)methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 66884318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).