N-[4-(1-cyano-4-formyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-2,6-difluorobenzamide

C20H15F2N3O2 — CID 89250978

IUPACN-[4-(1-cyano-4-formyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-2,6-difluorobenzamide
SMILESN#CN1CCC(C=O)=C(c2ccc(NC(=O)c3c(F)cccc3F)cc2)C1
InChIInChI=1S/C20H15F2N3O2/c21-17-2-1-3-18(22)19(17)20(27)24-15-6-4-13(5-7-15)16-10-25(12-23)9-8-14(16)11-26/h1-7,11H,8-10H2,(H,24,27)
InChIKeyIOWHMVNJFSQZBJ-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.36
Rot. Bonds4

About N-[4-(1-cyano-4-formyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-2,6-difluorobenzamide

N-[4-(1-cyano-4-formyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-2,6-difluorobenzamide (PubChem CID 89250978) has the molecular formula C20H15F2N3O2 and a molecular weight of 367.36 g/mol. Its IUPAC name is N-[4-(1-cyano-4-formyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(1-cyano-4-formyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-2,6-difluorobenzamide
PubChem CID89250978
Molecular FormulaC20H15F2N3O2
Molecular Weight367.36 g/mol
Exact Mass367.11
IUPAC NameN-[4-(1-cyano-4-formyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-2,6-difluorobenzamide
SMILESN#CN1CCC(C=O)=C(c2ccc(NC(=O)c3c(F)cccc3F)cc2)C1
InChIInChI=1S/C20H15F2N3O2/c21-17-2-1-3-18(22)19(17)20(27)24-15-6-4-13(5-7-15)16-10-25(12-23)9-8-14(16)11-26/h1-7,11H,8-10H2,(H,24,27)
InChIKeyIOWHMVNJFSQZBJ-UHFFFAOYSA-N
XLogP3.36
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze N-[4-(1-cyano-4-formyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-2,6-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[1-(3-cyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide
CID 66744848
N-[4-(1-cyano-4-methyl-3,6-dihydro-2H-pyridin-5-yl)-6-methylcyclohexa-1,3-dien-1-yl]-2,6-difluorobenzamide
CID 143518331
2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
CID 143234800
N-[4-(cyclohexen-1-yl)phenyl]-2,6-difluorobenzamide
CID 143518363
N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,6-difluorobenzamide
CID 90557184
N-(4-cyanophenyl)-2-fluoro-6-hydroxybenzamide
CID 104917041
2,6-difluoro-N-(4-nitrophenyl)benzamide
CID 2841260
2,6-difluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 1247061
N-[4-(2,5-dichlorophenyl)phenyl]-2,6-difluorobenzamide
CID 11222663
2-fluoro-6-hydroxy-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
CID 59785762
N-[4-(bromomethyl)phenyl]-2,6-difluorobenzamide
CID 114310878
2,6-difluoro-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7593337

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyano-4-formyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-2,6-difluorobenzamide?
The IUPAC name of N-[4-(1-cyano-4-formyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-2,6-difluorobenzamide (CID 89250978) is N-[4-(1-cyano-4-formyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[4-(1-cyano-4-formyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[4-(1-cyano-4-formyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-2,6-difluorobenzamide is N#CN1CCC(C=O)=C(c2ccc(NC(=O)c3c(F)cccc3F)cc2)C1.
What is the InChIKey of N-[4-(1-cyano-4-formyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-2,6-difluorobenzamide?
The InChIKey is IOWHMVNJFSQZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O2/c21-17-2-1-3-18(22)19(17)20(27)24-15-6-4-13(5-7-15)16-10-25(12-23)9-8-14(16)11-26/h1-7,11H,8-10H2,(H,24,27).
What are the key properties of N-[4-(1-cyano-4-formyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-2,6-difluorobenzamide?
N-[4-(1-cyano-4-formyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-2,6-difluorobenzamide has a molecular weight of 367.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyano-4-formyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-2,6-difluorobenzamide is sourced from PubChem (CID 89250978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).