N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide

C23H28N4O4S — CID 55845832

IUPACN-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide
SMILESCC1CCN(c2ccc(CNC(=O)c3ccc4c(c3)S(=O)(=O)N(C(C)C)C4=O)cn2)CC1
InChIInChI=1S/C23H28N4O4S/c1-15(2)27-23(29)19-6-5-18(12-20(19)32(27,30)31)22(28)25-14-17-4-7-21(24-13-17)26-10-8-16(3)9-11-26/h4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,25,28)
InChIKeyHYBYSFOWOMLWNB-UHFFFAOYSA-N
MW456.57 g/mol
LogP2.80
Rot. Bonds5

About N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide

N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide (PubChem CID 55845832) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide
PubChem CID55845832
Molecular FormulaC23H28N4O4S
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC NameN-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide
SMILESCC1CCN(c2ccc(CNC(=O)c3ccc4c(c3)S(=O)(=O)N(C(C)C)C4=O)cn2)CC1
InChIInChI=1S/C23H28N4O4S/c1-15(2)27-23(29)19-6-5-18(12-20(19)32(27,30)31)22(28)25-14-17-4-7-21(24-13-17)26-10-8-16(3)9-11-26/h4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,25,28)
InChIKeyHYBYSFOWOMLWNB-UHFFFAOYSA-N
XLogP2.80
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide with MolForge

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Related Compounds

4-(dimethylamino)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide
CID 55846067
5-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyridine-2,5-dicarboxamide
CID 86859111
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
N-[2-(methylamino)propyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 120827370
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 55054509
N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide
CID 31007703
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-5-nitrothiophene-2-carboxamide
CID 55746854
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3,4-difluorobenzamide
CID 53149087
4-methyl-3-nitro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 37482686
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 99817715
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 56540241

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide?
The IUPAC name of N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide (CID 55845832) is N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide?
The canonical SMILES for N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide is CC1CCN(c2ccc(CNC(=O)c3ccc4c(c3)S(=O)(=O)N(C(C)C)C4=O)cn2)CC1.
What is the InChIKey of N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide?
The InChIKey is HYBYSFOWOMLWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S/c1-15(2)27-23(29)19-6-5-18(12-20(19)32(27,30)31)22(28)25-14-17-4-7-21(24-13-17)26-10-8-16(3)9-11-26/h4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,25,28).
What are the key properties of N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide?
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide has a molecular weight of 456.57 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide is sourced from PubChem (CID 55845832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).