N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

C21H24FN3O3S — CID 46821091

IUPACN-cyclohexyl-N-[(4-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESO=C(C1=CC=CN2CCS(=O)(=O)N=C12)N(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C21H24FN3O3S/c22-17-10-8-16(9-11-17)15-25(18-5-2-1-3-6-18)21(26)19-7-4-12-24-13-14-29(27,28)23-20(19)24/h4,7-12,18H,1-3,5-6,13-15H2
InChIKeyUUQGXNVGUGHNLZ-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.98
Rot. Bonds4

About N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (PubChem CID 46821091) has the molecular formula C21H24FN3O3S and a molecular weight of 417.51 g/mol. Its IUPAC name is N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(4-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
PubChem CID46821091
Molecular FormulaC21H24FN3O3S
Molecular Weight417.51 g/mol
Exact Mass417.15
IUPAC NameN-cyclohexyl-N-[(4-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESO=C(C1=CC=CN2CCS(=O)(=O)N=C12)N(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C21H24FN3O3S/c22-17-10-8-16(9-11-17)15-25(18-5-2-1-3-6-18)21(26)19-7-4-12-24-13-14-29(27,28)23-20(19)24/h4,7-12,18H,1-3,5-6,13-15H2
InChIKeyUUQGXNVGUGHNLZ-UHFFFAOYSA-N
XLogP2.98
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The IUPAC name of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (CID 46821091) is N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The canonical SMILES for N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is O=C(C1=CC=CN2CCS(=O)(=O)N=C12)N(Cc1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The InChIKey is UUQGXNVGUGHNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3S/c22-17-10-8-16(9-11-17)15-25(18-5-2-1-3-6-18)21(26)19-7-4-12-24-13-14-29(27,28)23-20(19)24/h4,7-12,18H,1-3,5-6,13-15H2.
What are the key properties of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is sourced from PubChem (CID 46821091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).