N-[6-(diethylamino)-3-pyridinyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C18H20N4O2S — CID 55784088

IUPACN-[6-(diethylamino)-3-pyridinyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cn1
InChIInChI=1S/C18H20N4O2S/c1-3-22(4-2)16-8-6-13(10-19-16)20-18(24)12-5-7-15-14(9-12)21-17(23)11-25-15/h5-10H,3-4,11H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyQBLRECNWWZRAHE-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.22
Rot. Bonds5

About N-[6-(diethylamino)-3-pyridinyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-[6-(diethylamino)-3-pyridinyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 55784088) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[6-(diethylamino)-3-pyridinyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-[6-(diethylamino)-3-pyridinyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID55784088
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-[6-(diethylamino)-3-pyridinyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cn1
InChIInChI=1S/C18H20N4O2S/c1-3-22(4-2)16-8-6-13(10-19-16)20-18(24)12-5-7-15-14(9-12)21-17(23)11-25-15/h5-10H,3-4,11H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyQBLRECNWWZRAHE-UHFFFAOYSA-N
XLogP3.22
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(ethylcarbamoyl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55753946
N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2453316
3-oxo-N-pyridin-3-yl-4H-1,4-benzothiazine-6-carboxamide
CID 26592395
3-oxo-N-phenyl-4H-1,4-benzothiazine-6-carboxamide
CID 24643274
N-[3-(2-methoxyethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55879605
N-(5-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 8004090
N-[4-(4-methylphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 7980632
N,N-diethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 20967217
N-ethoxy-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 17412810
3,5-dimethyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 37015182
N-[4-(2-methoxyphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 42009236
N-[6-(diethylamino)-3-pyridinyl]-1H-pyrazole-4-carboxamide
CID 60971845

Frequently Asked Questions

What is the IUPAC name of N-[6-(diethylamino)-3-pyridinyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-[6-(diethylamino)-3-pyridinyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 55784088) is N-[6-(diethylamino)-3-pyridinyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-[6-(diethylamino)-3-pyridinyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-[6-(diethylamino)-3-pyridinyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is CCN(CC)c1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cn1.
What is the InChIKey of N-[6-(diethylamino)-3-pyridinyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is QBLRECNWWZRAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-3-22(4-2)16-8-6-13(10-19-16)20-18(24)12-5-7-15-14(9-12)21-17(23)11-25-15/h5-10H,3-4,11H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of N-[6-(diethylamino)-3-pyridinyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-[6-(diethylamino)-3-pyridinyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(diethylamino)-3-pyridinyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 55784088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).