4-[(4-cyano-2,6-difluorophenyl)methylidene]-N-(2-cyclopropyl-4-pyridinyl)piperidine-1-carboxamide

C22H20F2N4O — CID 138608830

IUPAC4-[(4-cyano-2,6-difluorophenyl)methylidene]-N-(2-cyclopropyl-4-pyridinyl)piperidine-1-carboxamide
SMILESN#Cc1cc(F)c(C=C2CCN(C(=O)Nc3ccnc(C4CC4)c3)CC2)c(F)c1
InChIInChI=1S/C22H20F2N4O/c23-19-10-15(13-25)11-20(24)18(19)9-14-4-7-28(8-5-14)22(29)27-17-3-6-26-21(12-17)16-1-2-16/h3,6,9-12,16H,1-2,4-5,7-8H2,(H,26,27,29)
InChIKeyIICQUODKLRUMQM-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.82
Rot. Bonds3

About 4-[(4-cyano-2,6-difluorophenyl)methylidene]-N-(2-cyclopropyl-4-pyridinyl)piperidine-1-carboxamide

4-[(4-cyano-2,6-difluorophenyl)methylidene]-N-(2-cyclopropyl-4-pyridinyl)piperidine-1-carboxamide (PubChem CID 138608830) has the molecular formula C22H20F2N4O and a molecular weight of 394.43 g/mol. Its IUPAC name is 4-[(4-cyano-2,6-difluorophenyl)methylidene]-N-(2-cyclopropyl-4-pyridinyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-cyano-2,6-difluorophenyl)methylidene]-N-(2-cyclopropyl-4-pyridinyl)piperidine-1-carboxamide
PubChem CID138608830
Molecular FormulaC22H20F2N4O
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name4-[(4-cyano-2,6-difluorophenyl)methylidene]-N-(2-cyclopropyl-4-pyridinyl)piperidine-1-carboxamide
SMILESN#Cc1cc(F)c(C=C2CCN(C(=O)Nc3ccnc(C4CC4)c3)CC2)c(F)c1
InChIInChI=1S/C22H20F2N4O/c23-19-10-15(13-25)11-20(24)18(19)9-14-4-7-28(8-5-14)22(29)27-17-3-6-26-21(12-17)16-1-2-16/h3,6,9-12,16H,1-2,4-5,7-8H2,(H,26,27,29)
InChIKeyIICQUODKLRUMQM-UHFFFAOYSA-N
XLogP4.82
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chloro-2-fluorophenyl)methylidene]-N-(2-cyclopropyl-4-pyridinyl)piperidine-1-carboxamide
CID 138608827
4-[(4-chloro-2-fluorophenyl)methylidene]-N-(2,3-dimethyl-4-pyridinyl)piperidine-1-carboxamide
CID 138687839
N-(3-cyanophenyl)-5-oxo-1,4-diazepane-1-carboxamide
CID 60969059
4-[[4-[ethyl(methyl)amino]-2,6-difluorophenyl]methylidene]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 138630392
N-(4-cyanophenyl)piperidine-1-carboxamide
CID 89462027
N-(4-cyanophenyl)-4-formylpiperazine-1-carboxamide
CID 23875995
3-[(4-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide
CID 122252547
N-(4-cyanophenyl)morpholine-4-carboxamide
CID 4984315
4-(3-cyanophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide
CID 113114880
N-(3-cyanophenyl)-4-(dimethylamino)azepane-1-carboxamide
CID 56900491
(3S)-3-amino-N-(4-cyanophenyl)pyrrolidine-1-carboxamide
CID 113282408
N-(3-cyanophenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896286

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyano-2,6-difluorophenyl)methylidene]-N-(2-cyclopropyl-4-pyridinyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(4-cyano-2,6-difluorophenyl)methylidene]-N-(2-cyclopropyl-4-pyridinyl)piperidine-1-carboxamide (CID 138608830) is 4-[(4-cyano-2,6-difluorophenyl)methylidene]-N-(2-cyclopropyl-4-pyridinyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(4-cyano-2,6-difluorophenyl)methylidene]-N-(2-cyclopropyl-4-pyridinyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(4-cyano-2,6-difluorophenyl)methylidene]-N-(2-cyclopropyl-4-pyridinyl)piperidine-1-carboxamide is N#Cc1cc(F)c(C=C2CCN(C(=O)Nc3ccnc(C4CC4)c3)CC2)c(F)c1.
What is the InChIKey of 4-[(4-cyano-2,6-difluorophenyl)methylidene]-N-(2-cyclopropyl-4-pyridinyl)piperidine-1-carboxamide?
The InChIKey is IICQUODKLRUMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O/c23-19-10-15(13-25)11-20(24)18(19)9-14-4-7-28(8-5-14)22(29)27-17-3-6-26-21(12-17)16-1-2-16/h3,6,9-12,16H,1-2,4-5,7-8H2,(H,26,27,29).
What are the key properties of 4-[(4-cyano-2,6-difluorophenyl)methylidene]-N-(2-cyclopropyl-4-pyridinyl)piperidine-1-carboxamide?
4-[(4-cyano-2,6-difluorophenyl)methylidene]-N-(2-cyclopropyl-4-pyridinyl)piperidine-1-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyano-2,6-difluorophenyl)methylidene]-N-(2-cyclopropyl-4-pyridinyl)piperidine-1-carboxamide is sourced from PubChem (CID 138608830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).