4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]-1λ6,2-benzothiazine-3-carboxamide

C19H20N4O5S — CID 59810614

IUPAC4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]-1λ6,2-benzothiazine-3-carboxamide
SMILESCCCNC(=O)c1ccc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)nc1
InChIInChI=1S/C19H20N4O5S/c1-3-10-20-18(25)12-8-9-15(21-11-12)22-19(26)16-17(24)13-6-4-5-7-14(13)29(27,28)23(16)2/h4-9,11,24H,3,10H2,1-2H3,(H,20,25)(H,21,22,26)
InChIKeyOFDCGCZCFDOVNV-UHFFFAOYSA-N
MW416.46 g/mol
LogP1.72
Rot. Bonds5

About 4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]-1λ6,2-benzothiazine-3-carboxamide

4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 59810614) has the molecular formula C19H20N4O5S and a molecular weight of 416.46 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]-1λ6,2-benzothiazine-3-carboxamide
PubChem CID59810614
Molecular FormulaC19H20N4O5S
Molecular Weight416.46 g/mol
Exact Mass416.12
IUPAC Name4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]-1λ6,2-benzothiazine-3-carboxamide
SMILESCCCNC(=O)c1ccc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)nc1
InChIInChI=1S/C19H20N4O5S/c1-3-10-20-18(25)12-8-9-15(21-11-12)22-19(26)16-17(24)13-6-4-5-7-14(13)29(27,28)23(16)2/h4-9,11,24H,3,10H2,1-2H3,(H,20,25)(H,21,22,26)
InChIKeyOFDCGCZCFDOVNV-UHFFFAOYSA-N
XLogP1.72
TPSA128.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of 4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]-1λ6,2-benzothiazine-3-carboxamide (CID 59810614) is 4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]-1λ6,2-benzothiazine-3-carboxamide is CCCNC(=O)c1ccc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)nc1.
What is the InChIKey of 4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is OFDCGCZCFDOVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5S/c1-3-10-20-18(25)12-8-9-15(21-11-12)22-19(26)16-17(24)13-6-4-5-7-14(13)29(27,28)23(16)2/h4-9,11,24H,3,10H2,1-2H3,(H,20,25)(H,21,22,26).
What are the key properties of 4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]-1λ6,2-benzothiazine-3-carboxamide?
4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 416.46 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 59810614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).