N-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-6-methoxypyridine-3-carboxamide

C21H19F2N3O6S — CID 24547127

IUPACN-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCCN2C(=O)S/C(=C\c3ccc(OC(F)F)c(OC)c3)C2=O)cn1
InChIInChI=1S/C21H19F2N3O6S/c1-30-15-9-12(3-5-14(15)32-20(22)23)10-16-19(28)26(21(29)33-16)8-7-24-18(27)13-4-6-17(31-2)25-11-13/h3-6,9-11,20H,7-8H2,1-2H3,(H,24,27)/b16-10-
InChIKeyMKTFRLOIXGTGCN-YBEGLDIGSA-N
MW479.46 g/mol
LogP3.17
Rot. Bonds9

About N-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-6-methoxypyridine-3-carboxamide

N-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-6-methoxypyridine-3-carboxamide (PubChem CID 24547127) has the molecular formula C21H19F2N3O6S and a molecular weight of 479.46 g/mol. Its IUPAC name is N-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-6-methoxypyridine-3-carboxamide
PubChem CID24547127
Molecular FormulaC21H19F2N3O6S
Molecular Weight479.46 g/mol
Exact Mass479.10
IUPAC NameN-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCCN2C(=O)S/C(=C\c3ccc(OC(F)F)c(OC)c3)C2=O)cn1
InChIInChI=1S/C21H19F2N3O6S/c1-30-15-9-12(3-5-14(15)32-20(22)23)10-16-19(28)26(21(29)33-16)8-7-24-18(27)13-4-6-17(31-2)25-11-13/h3-6,9-11,20H,7-8H2,1-2H3,(H,24,27)/b16-10-
InChIKeyMKTFRLOIXGTGCN-YBEGLDIGSA-N
XLogP3.17
TPSA107.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

4-cyano-N-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]benzamide
CID 26354971
N-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(methoxymethyl)benzamide
CID 24547122
N-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-methylpentanamide
CID 24641018
N-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(2-methylpropoxy)propanamide
CID 39391365
6-chloro-N-[2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]pyridine-3-carboxamide
CID 27512930
6-chloro-N-[2-[(5E)-2,4-dioxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]ethyl]pyridine-3-carboxamide
CID 92968404
N-[2-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 43066194
N-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55415393
N-[2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-ethoxybenzamide
CID 26202606
(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-3-[2-(4-nitrophenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
CID 126348200
2-[4-[(Z)-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]propanoic acid
CID 11988149
N-[2-[5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(2-methoxyphenoxy)propanamide
CID 4833293

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-6-methoxypyridine-3-carboxamide (CID 24547127) is N-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-6-methoxypyridine-3-carboxamide is COc1ccc(C(=O)NCCN2C(=O)S/C(=C\c3ccc(OC(F)F)c(OC)c3)C2=O)cn1.
What is the InChIKey of N-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-6-methoxypyridine-3-carboxamide?
The InChIKey is MKTFRLOIXGTGCN-YBEGLDIGSA-N. The full InChI is InChI=1S/C21H19F2N3O6S/c1-30-15-9-12(3-5-14(15)32-20(22)23)10-16-19(28)26(21(29)33-16)8-7-24-18(27)13-4-6-17(31-2)25-11-13/h3-6,9-11,20H,7-8H2,1-2H3,(H,24,27)/b16-10-.
What are the key properties of N-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-6-methoxypyridine-3-carboxamide?
N-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-6-methoxypyridine-3-carboxamide has a molecular weight of 479.46 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 24547127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).