N-(4-bromophenyl)-2-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxamide

C17H18BrN3O3S — CID 133474432

IUPACN-(4-bromophenyl)-2-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ncccc2C(=O)Nc2ccc(Br)cc2)CCS1(=O)=O
InChIInChI=1S/C17H18BrN3O3S/c1-12-11-21(9-10-25(12,23)24)16-15(3-2-8-19-16)17(22)20-14-6-4-13(18)5-7-14/h2-8,12H,9-11H2,1H3,(H,20,22)
InChIKeySPEURXQJZCAYKT-UHFFFAOYSA-N
MW424.32 g/mol
LogP2.72
Rot. Bonds3

About N-(4-bromophenyl)-2-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxamide

N-(4-bromophenyl)-2-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxamide (PubChem CID 133474432) has the molecular formula C17H18BrN3O3S and a molecular weight of 424.32 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxamide
PubChem CID133474432
Molecular FormulaC17H18BrN3O3S
Molecular Weight424.32 g/mol
Exact Mass423.03
IUPAC NameN-(4-bromophenyl)-2-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ncccc2C(=O)Nc2ccc(Br)cc2)CCS1(=O)=O
InChIInChI=1S/C17H18BrN3O3S/c1-12-11-21(9-10-25(12,23)24)16-15(3-2-8-19-16)17(22)20-14-6-4-13(18)5-7-14/h2-8,12H,9-11H2,1H3,(H,20,22)
InChIKeySPEURXQJZCAYKT-UHFFFAOYSA-N
XLogP2.72
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[4-(methylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
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N-(4-bromophenyl)-2-chloropyridine-3-carboxamide
CID 4604195
N-[4-(cyclopropylcarbamoylamino)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide
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2-(azepan-1-yl)-N-naphthalen-2-ylpyridine-3-carboxamide
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2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 84574699
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 55743332
N-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 84576179
N-(4-bromophenyl)-2-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carboxamide
CID 133301482
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 167966444

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxamide (CID 133474432) is N-(4-bromophenyl)-2-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxamide is CC1CN(c2ncccc2C(=O)Nc2ccc(Br)cc2)CCS1(=O)=O.
What is the InChIKey of N-(4-bromophenyl)-2-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxamide?
The InChIKey is SPEURXQJZCAYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O3S/c1-12-11-21(9-10-25(12,23)24)16-15(3-2-8-19-16)17(22)20-14-6-4-13(18)5-7-14/h2-8,12H,9-11H2,1H3,(H,20,22).
What are the key properties of N-(4-bromophenyl)-2-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxamide?
N-(4-bromophenyl)-2-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxamide has a molecular weight of 424.32 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133474432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).