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

C19H18F4N4O — CID 66884470

IUPAC4-[[4-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide
SMILESCC1CN(C(=O)Nc2cccnn2)CCC1=Cc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C19H18F4N4O/c1-12-11-27(18(28)25-17-3-2-7-24-26-17)8-6-14(12)9-13-4-5-16(20)15(10-13)19(21,22)23/h2-5,7,9-10,12H,6,8,11H2,1H3,(H,25,26,28)
InChIKeyDFGNSHXMRKAWBE-UHFFFAOYSA-N
MW394.37 g/mol
LogP4.59
Rot. Bonds2

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

4-[[4-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide (PubChem CID 66884470) has the molecular formula C19H18F4N4O and a molecular weight of 394.37 g/mol. Its IUPAC name is 4-[[4-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[4-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide
PubChem CID66884470
Molecular FormulaC19H18F4N4O
Molecular Weight394.37 g/mol
Exact Mass394.14
IUPAC Name4-[[4-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide
SMILESCC1CN(C(=O)Nc2cccnn2)CCC1=Cc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C19H18F4N4O/c1-12-11-27(18(28)25-17-3-2-7-24-26-17)8-6-14(12)9-13-4-5-16(20)15(10-13)19(21,22)23/h2-5,7,9-10,12H,6,8,11H2,1H3,(H,25,26,28)
InChIKeyDFGNSHXMRKAWBE-UHFFFAOYSA-N
XLogP4.59
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.37
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-fluorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 66883815
4-[(3,4-dichlorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 66883046
(4E)-4-[(3-chloro-5-methylphenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 66884160
(4E)-3-methyl-N-pyridazin-3-yl-4-[[3-(4,4,4-trifluoro-2-methylbutoxy)phenyl]methylidene]piperidine-1-carboxamide
CID 66897615
4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 66885490
4-[(3-chloro-4-fluorophenyl)methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66884636
(4E)-4-[[3-[(4,4-difluorocyclohexyl)methoxy]phenyl]methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 67228281
3-methyl-N-pyridazin-3-yl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide
CID 66885968
4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66884417
4-[[3-(1,1-difluoroethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66884378
4-fluoro-N-pyridazin-3-yl-3-(trifluoromethyl)benzamide
CID 115635769
4-[(3,4-difluorophenyl)methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 66884318

Frequently Asked Questions

What is the IUPAC name of 4-[[4-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[[4-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide (CID 66884470) is 4-[[4-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[4-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[4-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide is CC1CN(C(=O)Nc2cccnn2)CCC1=Cc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 4-[[4-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide?
The InChIKey is DFGNSHXMRKAWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N4O/c1-12-11-27(18(28)25-17-3-2-7-24-26-17)8-6-14(12)9-13-4-5-16(20)15(10-13)19(21,22)23/h2-5,7,9-10,12H,6,8,11H2,1H3,(H,25,26,28).
What are the key properties of 4-[[4-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide?
4-[[4-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide has a molecular weight of 394.37 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 66884470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).