N-[1-(4-bromophenyl)cyclopropyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

C17H16BrN3O3S — CID 55825521

IUPACN-[1-(4-bromophenyl)cyclopropyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESO=C(NC1(c2ccc(Br)cc2)CC1)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C17H16BrN3O3S/c18-13-5-3-12(4-6-13)17(7-8-17)19-16(22)14-2-1-9-21-10-11-25(23,24)20-15(14)21/h1-6,9H,7-8,10-11H2,(H,19,22)
InChIKeyOQVVALUGFSIGBZ-UHFFFAOYSA-N
MW422.30 g/mol
LogP2.05
Rot. Bonds3

About N-[1-(4-bromophenyl)cyclopropyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

N-[1-(4-bromophenyl)cyclopropyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (PubChem CID 55825521) has the molecular formula C17H16BrN3O3S and a molecular weight of 422.30 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)cyclopropyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)cyclopropyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
PubChem CID55825521
Molecular FormulaC17H16BrN3O3S
Molecular Weight422.30 g/mol
Exact Mass421.01
IUPAC NameN-[1-(4-bromophenyl)cyclopropyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESO=C(NC1(c2ccc(Br)cc2)CC1)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C17H16BrN3O3S/c18-13-5-3-12(4-6-13)17(7-8-17)19-16(22)14-2-1-9-21-10-11-25(23,24)20-15(14)21/h1-6,9H,7-8,10-11H2,(H,19,22)
InChIKeyOQVVALUGFSIGBZ-UHFFFAOYSA-N
XLogP2.05
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)cyclopropyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)cyclopropyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (CID 55825521) is N-[1-(4-bromophenyl)cyclopropyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)cyclopropyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)cyclopropyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is O=C(NC1(c2ccc(Br)cc2)CC1)C1=CC=CN2CCS(=O)(=O)N=C12.
What is the InChIKey of N-[1-(4-bromophenyl)cyclopropyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The InChIKey is OQVVALUGFSIGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O3S/c18-13-5-3-12(4-6-13)17(7-8-17)19-16(22)14-2-1-9-21-10-11-25(23,24)20-15(14)21/h1-6,9H,7-8,10-11H2,(H,19,22).
What are the key properties of N-[1-(4-bromophenyl)cyclopropyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
N-[1-(4-bromophenyl)cyclopropyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide has a molecular weight of 422.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)cyclopropyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is sourced from PubChem (CID 55825521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).