5-cyclopropyl-2-methylidene-1-phenylpyridine;4-(5-cyclopropyl-2-oxo-1-pyridinyl)benzenesulfonamide;4-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]benzenesulfonamide;N-[3-[5-(4-fluorophenyl)-2-oxo-1-pyridinyl]phenyl]acetamide;N-[3-[5-(furan-2-yl)-2-oxo-1-pyridinyl]phenyl]acetamide;2-methylidene-5-[4-(sulfinatoamino)phenyl]-1-[4-(trifluoromethoxy)phenyl]pyridine

C102H87F5N11O13S3- — CID 161424209

IUPAC5-cyclopropyl-2-methylidene-1-phenylpyridine;4-(5-cyclopropyl-2-oxo-1-pyridinyl)benzenesulfonamide;4-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]benzenesulfonamide;N-[3-[5-(4-fluorophenyl)-2-oxo-1-pyridinyl]phenyl]acetamide;N-[3-[5-(furan-2-yl)-2-oxo-1-pyridinyl]phenyl]acetamide;2-methylidene-5-[4-(sulfinatoamino)phenyl]-1-[4-(trifluoromethoxy)phenyl]pyridine
SMILESC=C1C=CC(C2CC2)=CN1c1ccccc1.C=C1C=CC(c2ccc(F)cc2)=CN1c1ccc(S(N)(=O)=O)cc1.C=C1C=CC(c2ccc(NS(=O)[O-])cc2)=CN1c1ccc(OC(F)(F)F)cc1.CC(=O)Nc1cccc(-n2cc(-c3ccc(F)cc3)ccc2=O)c1.CC(=O)Nc1cccc(-n2cc(-c3ccco3)ccc2=O)c1.NS(=O)(=O)c1ccc(-n2cc(C3CC3)ccc2=O)cc1
InChIInChI=1S/C19H15F3N2O3S.C19H15FN2O2.C18H15FN2O2S.C17H14N2O3.C15H15N.C14H14N2O3S/c1-13-2-3-15(14-4-6-16(7-5-14)23-28(25)26)12-24(13)17-8-10-18(11-9-17)27-19(20,21)22;1-13(23)21-17-3-2-4-18(11-17)22-12-15(7-10-19(22)24)14-5-8-16(20)9-6-14;1-13-2-3-15(14-4-6-16(19)7-5-14)12-21(13)17-8-10-18(11-9-17)24(20,22)23;1-12(20)18-14-4-2-5-15(10-14)19-11-13(7-8-17(19)21)16-6-3-9-22-16;1-12-7-8-14(13-9-10-13)11-16(12)15-5-3-2-4-6-15;15-20(18,19)13-6-4-12(5-7-13)16-9-11(10-1-2-10)3-8-14(16)17/h2-12,23H,1H2,(H,25,26);2-12H,1H3,(H,21,23);2-12H,1H2,(H2,20,22,23);2-11H,1H3,(H,18,20);2-8,11,13H,1,9-10H2;3-10H,1-2H2,(H2,15,18,19)/p-1
InChIKeyBBCCRLWZNKPNJC-UHFFFAOYSA-M
MW1866.07 g/mol
LogP20.02
Rot. Bonds19

About 5-cyclopropyl-2-methylidene-1-phenylpyridine;4-(5-cyclopropyl-2-oxo-1-pyridinyl)benzenesulfonamide;4-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]benzenesulfonamide;N-[3-[5-(4-fluorophenyl)-2-oxo-1-pyridinyl]phenyl]acetamide;N-[3-[5-(furan-2-yl)-2-oxo-1-pyridinyl]phenyl]acetamide;2-methylidene-5-[4-(sulfinatoamino)phenyl]-1-[4-(trifluoromethoxy)phenyl]pyridine

5-cyclopropyl-2-methylidene-1-phenylpyridine;4-(5-cyclopropyl-2-oxo-1-pyridinyl)benzenesulfonamide;4-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]benzenesulfonamide;N-[3-[5-(4-fluorophenyl)-2-oxo-1-pyridinyl]phenyl]acetamide;N-[3-[5-(furan-2-yl)-2-oxo-1-pyridinyl]phenyl]acetamide;2-methylidene-5-[4-(sulfinatoamino)phenyl]-1-[4-(trifluoromethoxy)phenyl]pyridine (PubChem CID 161424209) has the molecular formula C102H87F5N11O13S3- and a molecular weight of 1866.07 g/mol. Its IUPAC name is 5-cyclopropyl-2-methylidene-1-phenylpyridine;4-(5-cyclopropyl-2-oxo-1-pyridinyl)benzenesulfonamide;4-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]benzenesulfonamide;N-[3-[5-(4-fluorophenyl)-2-oxo-1-pyridinyl]phenyl]acetamide;N-[3-[5-(furan-2-yl)-2-oxo-1-pyridinyl]phenyl]acetamide;2-methylidene-5-[4-(sulfinatoamino)phenyl]-1-[4-(trifluoromethoxy)phenyl]pyridine.

Molecular Properties

Compound Name5-cyclopropyl-2-methylidene-1-phenylpyridine;4-(5-cyclopropyl-2-oxo-1-pyridinyl)benzenesulfonamide;4-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]benzenesulfonamide;N-[3-[5-(4-fluorophenyl)-2-oxo-1-pyridinyl]phenyl]acetamide;N-[3-[5-(furan-2-yl)-2-oxo-1-pyridinyl]phenyl]acetamide;2-methylidene-5-[4-(sulfinatoamino)phenyl]-1-[4-(trifluoromethoxy)phenyl]pyridine
PubChem CID161424209
Molecular FormulaC102H87F5N11O13S3-
Molecular Weight1866.07 g/mol
Exact Mass1864.56
IUPAC Name5-cyclopropyl-2-methylidene-1-phenylpyridine;4-(5-cyclopropyl-2-oxo-1-pyridinyl)benzenesulfonamide;4-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]benzenesulfonamide;N-[3-[5-(4-fluorophenyl)-2-oxo-1-pyridinyl]phenyl]acetamide;N-[3-[5-(furan-2-yl)-2-oxo-1-pyridinyl]phenyl]acetamide;2-methylidene-5-[4-(sulfinatoamino)phenyl]-1-[4-(trifluoromethoxy)phenyl]pyridine
SMILESC=C1C=CC(C2CC2)=CN1c1ccccc1.C=C1C=CC(c2ccc(F)cc2)=CN1c1ccc(S(N)(=O)=O)cc1.C=C1C=CC(c2ccc(NS(=O)[O-])cc2)=CN1c1ccc(OC(F)(F)F)cc1.CC(=O)Nc1cccc(-n2cc(-c3ccc(F)cc3)ccc2=O)c1.CC(=O)Nc1cccc(-n2cc(-c3ccco3)ccc2=O)c1.NS(=O)(=O)c1ccc(-n2cc(C3CC3)ccc2=O)cc1
InChIInChI=1S/C19H15F3N2O3S.C19H15FN2O2.C18H15FN2O2S.C17H14N2O3.C15H15N.C14H14N2O3S/c1-13-2-3-15(14-4-6-16(7-5-14)23-28(25)26)12-24(13)17-8-10-18(11-9-17)27-19(20,21)22;1-13(23)21-17-3-2-4-18(11-17)22-12-15(7-10-19(22)24)14-5-8-16(20)9-6-14;1-13-2-3-15(14-4-6-16(19)7-5-14)12-21(13)17-8-10-18(11-9-17)24(20,22)23;1-12(20)18-14-4-2-5-15(10-14)19-11-13(7-8-17(19)21)16-6-3-9-22-16;1-12-7-8-14(13-9-10-13)11-16(12)15-5-3-2-4-6-15;15-20(18,19)13-6-4-12(5-7-13)16-9-11(10-1-2-10)3-8-14(16)17/h2-12,23H,1H2,(H,25,26);2-12H,1H3,(H,21,23);2-12H,1H2,(H2,20,22,23);2-11H,1H3,(H,18,20);2-8,11,13H,1,9-10H2;3-10H,1-2H2,(H2,15,18,19)/p-1
InChIKeyBBCCRLWZNKPNJC-UHFFFAOYSA-M
XLogP20.02
TPSA328.77 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001866.07
LogP ≤ 520.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 5-cyclopropyl-2-methylidene-1-phenylpyridine;4-(5-cyclopropyl-2-oxo-1-pyridinyl)benzenesulfonamide;4-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]benzenesulfonamide;N-[3-[5-(4-fluorophenyl)-2-oxo-1-pyridinyl]phenyl]acetamide;N-[3-[5-(furan-2-yl)-2-oxo-1-pyridinyl]phenyl]acetamide;2-methylidene-5-[4-(sulfinatoamino)phenyl]-1-[4-(trifluoromethoxy)phenyl]pyridine with MolForge

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Related Compounds

5-cyclopropyl-2-methylidene-1-phenylpyridine;4-(5-cyclopropyl-2-oxo-1-pyridinyl)benzenesulfonamide;N-[3-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]phenyl]acetamide;4-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]benzenesulfonamide;N-[3-[5-(4-fluorophenyl)-2-oxo-1-pyridinyl]phenyl]acetamide;N-[3-[5-(furan-2-yl)-2-oxo-1-pyridinyl]phenyl]acetamide;2-methylidene-5-[4-(sulfinatoamino)phenyl]-1-[4-(trifluoromethoxy)phenyl]pyridine
CID 159847026
N-[3-[5-(2-fluorophenyl)-2-oxo-1-pyridinyl]phenyl]acetamide
CID 58016631
N-[3-[5-(1-methylpyrazol-4-yl)-2-oxo-1-pyridinyl]phenyl]acetamide
CID 58016352
N-[3-[5-(1,3-oxazol-2-yl)-2-oxo-1-pyridinyl]phenyl]acetamide
CID 58016345
[3-[6-methylidene-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]phenyl]methanol
CID 89134226
N-[3-[5-(1-methylpyrazol-4-yl)-2-oxo-4-phenoxy-1-pyridinyl]phenyl]acetamide
CID 134318102
1-methyl-3-(3-sulfamoylphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]urea
CID 38218632
ethyl 1-(3-acetamidophenyl)-6-oxopyridine-3-carboxylate
CID 167473354
N-benzyl-7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;[7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone;7-(4-fluorophenyl)-6-methylidene-N-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(3-methoxyphenyl)-6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;[6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone
CID 162172140
2-(4-fluorophenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55810917
N-[3-[3-cyclopropyl-5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]acetamide
CID 46593899
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 121076284

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-methylidene-1-phenylpyridine;4-(5-cyclopropyl-2-oxo-1-pyridinyl)benzenesulfonamide;4-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]benzenesulfonamide;N-[3-[5-(4-fluorophenyl)-2-oxo-1-pyridinyl]phenyl]acetamide;N-[3-[5-(furan-2-yl)-2-oxo-1-pyridinyl]phenyl]acetamide;2-methylidene-5-[4-(sulfinatoamino)phenyl]-1-[4-(trifluoromethoxy)phenyl]pyridine?
The IUPAC name of 5-cyclopropyl-2-methylidene-1-phenylpyridine;4-(5-cyclopropyl-2-oxo-1-pyridinyl)benzenesulfonamide;4-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]benzenesulfonamide;N-[3-[5-(4-fluorophenyl)-2-oxo-1-pyridinyl]phenyl]acetamide;N-[3-[5-(furan-2-yl)-2-oxo-1-pyridinyl]phenyl]acetamide;2-methylidene-5-[4-(sulfinatoamino)phenyl]-1-[4-(trifluoromethoxy)phenyl]pyridine (CID 161424209) is 5-cyclopropyl-2-methylidene-1-phenylpyridine;4-(5-cyclopropyl-2-oxo-1-pyridinyl)benzenesulfonamide;4-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]benzenesulfonamide;N-[3-[5-(4-fluorophenyl)-2-oxo-1-pyridinyl]phenyl]acetamide;N-[3-[5-(furan-2-yl)-2-oxo-1-pyridinyl]phenyl]acetamide;2-methylidene-5-[4-(sulfinatoamino)phenyl]-1-[4-(trifluoromethoxy)phenyl]pyridine.
What is the SMILES notation for 5-cyclopropyl-2-methylidene-1-phenylpyridine;4-(5-cyclopropyl-2-oxo-1-pyridinyl)benzenesulfonamide;4-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]benzenesulfonamide;N-[3-[5-(4-fluorophenyl)-2-oxo-1-pyridinyl]phenyl]acetamide;N-[3-[5-(furan-2-yl)-2-oxo-1-pyridinyl]phenyl]acetamide;2-methylidene-5-[4-(sulfinatoamino)phenyl]-1-[4-(trifluoromethoxy)phenyl]pyridine?
The canonical SMILES for 5-cyclopropyl-2-methylidene-1-phenylpyridine;4-(5-cyclopropyl-2-oxo-1-pyridinyl)benzenesulfonamide;4-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]benzenesulfonamide;N-[3-[5-(4-fluorophenyl)-2-oxo-1-pyridinyl]phenyl]acetamide;N-[3-[5-(furan-2-yl)-2-oxo-1-pyridinyl]phenyl]acetamide;2-methylidene-5-[4-(sulfinatoamino)phenyl]-1-[4-(trifluoromethoxy)phenyl]pyridine is C=C1C=CC(C2CC2)=CN1c1ccccc1.C=C1C=CC(c2ccc(F)cc2)=CN1c1ccc(S(N)(=O)=O)cc1.C=C1C=CC(c2ccc(NS(=O)[O-])cc2)=CN1c1ccc(OC(F)(F)F)cc1.CC(=O)Nc1cccc(-n2cc(-c3ccc(F)cc3)ccc2=O)c1.CC(=O)Nc1cccc(-n2cc(-c3ccco3)ccc2=O)c1.NS(=O)(=O)c1ccc(-n2cc(C3CC3)ccc2=O)cc1.
What is the InChIKey of 5-cyclopropyl-2-methylidene-1-phenylpyridine;4-(5-cyclopropyl-2-oxo-1-pyridinyl)benzenesulfonamide;4-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]benzenesulfonamide;N-[3-[5-(4-fluorophenyl)-2-oxo-1-pyridinyl]phenyl]acetamide;N-[3-[5-(furan-2-yl)-2-oxo-1-pyridinyl]phenyl]acetamide;2-methylidene-5-[4-(sulfinatoamino)phenyl]-1-[4-(trifluoromethoxy)phenyl]pyridine?
The InChIKey is BBCCRLWZNKPNJC-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H15F3N2O3S.C19H15FN2O2.C18H15FN2O2S.C17H14N2O3.C15H15N.C14H14N2O3S/c1-13-2-3-15(14-4-6-16(7-5-14)23-28(25)26)12-24(13)17-8-10-18(11-9-17)27-19(20,21)22;1-13(23)21-17-3-2-4-18(11-17)22-12-15(7-10-19(22)24)14-5-8-16(20)9-6-14;1-13-2-3-15(14-4-6-16(19)7-5-14)12-21(13)17-8-10-18(11-9-17)24(20,22)23;1-12(20)18-14-4-2-5-15(10-14)19-11-13(7-8-17(19)21)16-6-3-9-22-16;1-12-7-8-14(13-9-10-13)11-16(12)15-5-3-2-4-6-15;15-20(18,19)13-6-4-12(5-7-13)16-9-11(10-1-2-10)3-8-14(16)17/h2-12,23H,1H2,(H,25,26);2-12H,1H3,(H,21,23);2-12H,1H2,(H2,20,22,23);2-11H,1H3,(H,18,20);2-8,11,13H,1,9-10H2;3-10H,1-2H2,(H2,15,18,19)/p-1.
What are the key properties of 5-cyclopropyl-2-methylidene-1-phenylpyridine;4-(5-cyclopropyl-2-oxo-1-pyridinyl)benzenesulfonamide;4-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]benzenesulfonamide;N-[3-[5-(4-fluorophenyl)-2-oxo-1-pyridinyl]phenyl]acetamide;N-[3-[5-(furan-2-yl)-2-oxo-1-pyridinyl]phenyl]acetamide;2-methylidene-5-[4-(sulfinatoamino)phenyl]-1-[4-(trifluoromethoxy)phenyl]pyridine?
5-cyclopropyl-2-methylidene-1-phenylpyridine;4-(5-cyclopropyl-2-oxo-1-pyridinyl)benzenesulfonamide;4-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]benzenesulfonamide;N-[3-[5-(4-fluorophenyl)-2-oxo-1-pyridinyl]phenyl]acetamide;N-[3-[5-(furan-2-yl)-2-oxo-1-pyridinyl]phenyl]acetamide;2-methylidene-5-[4-(sulfinatoamino)phenyl]-1-[4-(trifluoromethoxy)phenyl]pyridine has a molecular weight of 1866.07 g/mol, XLogP of 20.02, 19 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-methylidene-1-phenylpyridine;4-(5-cyclopropyl-2-oxo-1-pyridinyl)benzenesulfonamide;4-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]benzenesulfonamide;N-[3-[5-(4-fluorophenyl)-2-oxo-1-pyridinyl]phenyl]acetamide;N-[3-[5-(furan-2-yl)-2-oxo-1-pyridinyl]phenyl]acetamide;2-methylidene-5-[4-(sulfinatoamino)phenyl]-1-[4-(trifluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 161424209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).