4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methoxycyclohepta-1,3,6-triene-1-carboxamide;tungsten

C16H19FN3O4W- — CID 166077741

IUPAC4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methoxycyclohepta-1,3,6-triene-1-carboxamide;tungsten
SMILESCOC1=[C-]C(C(=O)NC2CCC(=O)NC2=O)=CC=C(N(C)C)C1F.[W]
InChIInChI=1S/C16H19FN3O4.W/c1-20(2)11-6-4-9(8-12(24-3)14(11)17)15(22)18-10-5-7-13(21)19-16(10)23;/h4,6,10,14H,5,7H2,1-3H3,(H,18,22)(H,19,21,23);/q-1;
InChIKeyQDTQGVVMXAHGGI-UHFFFAOYSA-N
MW520.18 g/mol
LogP-0.04
Rot. Bonds4

About 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methoxycyclohepta-1,3,6-triene-1-carboxamide;tungsten

4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methoxycyclohepta-1,3,6-triene-1-carboxamide;tungsten (PubChem CID 166077741) has the molecular formula C16H19FN3O4W- and a molecular weight of 520.18 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methoxycyclohepta-1,3,6-triene-1-carboxamide;tungsten.

Molecular Properties

Compound Name4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methoxycyclohepta-1,3,6-triene-1-carboxamide;tungsten
PubChem CID166077741
Molecular FormulaC16H19FN3O4W-
Molecular Weight520.18 g/mol
Exact Mass520.09
IUPAC Name4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methoxycyclohepta-1,3,6-triene-1-carboxamide;tungsten
SMILESCOC1=[C-]C(C(=O)NC2CCC(=O)NC2=O)=CC=C(N(C)C)C1F.[W]
InChIInChI=1S/C16H19FN3O4.W/c1-20(2)11-6-4-9(8-12(24-3)14(11)17)15(22)18-10-5-7-13(21)19-16(10)23;/h4,6,10,14H,5,7H2,1-3H3,(H,18,22)(H,19,21,23);/q-1;
InChIKeyQDTQGVVMXAHGGI-UHFFFAOYSA-N
XLogP-0.04
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.18
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methoxycyclohepta-1,3,6-triene-1-carboxamide;tungsten 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-(2,6-dioxopiperidin-3-yl)-5-methoxycyclohexa-1,5-diene-1-carboxamide;ethane;tungsten
CID 165136668
N-(2,6-dioxopiperidin-3-yl)-4,5-difluorocyclohexa-1,5-diene-1-carboxamide;ethane;methanethiol;tungsten
CID 171846804
4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-methoxycyclohepta-1,3,6-triene-1-carboxamide
CID 171846872
4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide;tungsten
CID 166077672
N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methoxybenzamide
CID 81285163
4-amino-N-(2,6-dioxopiperidin-3-yl)-3,6-difluorocyclohepta-1,4,6-triene-1-carboxamide;tungsten
CID 171846820
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 175838749
N-[(3R)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 165380137
N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
4-chloro-N-[(3R)-2,6-dioxopiperidin-3-yl]benzamide
CID 2363882
methyl 3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoate
CID 146129215
N-(2,6-dioxopiperidin-3-yl)-5-fluoropyridine-3-carboxamide
CID 115747901

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methoxycyclohepta-1,3,6-triene-1-carboxamide;tungsten?
The IUPAC name of 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methoxycyclohepta-1,3,6-triene-1-carboxamide;tungsten (CID 166077741) is 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methoxycyclohepta-1,3,6-triene-1-carboxamide;tungsten.
What is the SMILES notation for 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methoxycyclohepta-1,3,6-triene-1-carboxamide;tungsten?
The canonical SMILES for 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methoxycyclohepta-1,3,6-triene-1-carboxamide;tungsten is COC1=[C-]C(C(=O)NC2CCC(=O)NC2=O)=CC=C(N(C)C)C1F.[W].
What is the InChIKey of 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methoxycyclohepta-1,3,6-triene-1-carboxamide;tungsten?
The InChIKey is QDTQGVVMXAHGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN3O4.W/c1-20(2)11-6-4-9(8-12(24-3)14(11)17)15(22)18-10-5-7-13(21)19-16(10)23;/h4,6,10,14H,5,7H2,1-3H3,(H,18,22)(H,19,21,23);/q-1;.
What are the key properties of 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methoxycyclohepta-1,3,6-triene-1-carboxamide;tungsten?
4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methoxycyclohepta-1,3,6-triene-1-carboxamide;tungsten has a molecular weight of 520.18 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methoxycyclohepta-1,3,6-triene-1-carboxamide;tungsten is sourced from PubChem (CID 166077741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).