N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide

C17H17N3O3S — CID 9210880

IUPACN-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
SMILESCOc1ccc(NC(=O)CCN2C(=O)CSc3ccccc32)cn1
InChIInChI=1S/C17H17N3O3S/c1-23-16-7-6-12(10-18-16)19-15(21)8-9-20-13-4-2-3-5-14(13)24-11-17(20)22/h2-7,10H,8-9,11H2,1H3,(H,19,21)
InChIKeyQSCCBYPBQSEYSN-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.56
Rot. Bonds5

About N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide

N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide (PubChem CID 9210880) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
PubChem CID9210880
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
SMILESCOc1ccc(NC(=O)CCN2C(=O)CSc3ccccc32)cn1
InChIInChI=1S/C17H17N3O3S/c1-23-16-7-6-12(10-18-16)19-15(21)8-9-20-13-4-2-3-5-14(13)24-11-17(20)22/h2-7,10H,8-9,11H2,1H3,(H,19,21)
InChIKeyQSCCBYPBQSEYSN-UHFFFAOYSA-N
XLogP2.56
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9210916
3-(3-oxo-1,4-benzothiazin-4-yl)-N-quinolin-3-ylpropanamide
CID 31031128
3-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-pyridin-2-ylphenyl)propanamide
CID 170640017
N-(3,4-difluorophenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9210299
propyl 4-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzoate
CID 27669347
N-[4-(dimethylsulfamoyl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9328731
N-[4-(1H-imidazol-2-yl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 170639935
N-(2-ethylphenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9192811
ethyl 3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzoate
CID 34202240
N,N-dimethyl-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide
CID 29331567
N-[2-(4-ethoxyphenoxy)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 16563201
3-(3-oxo-1,4-benzothiazin-4-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 46644184

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide (CID 9210880) is N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide is COc1ccc(NC(=O)CCN2C(=O)CSc3ccccc32)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide?
The InChIKey is QSCCBYPBQSEYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-23-16-7-6-12(10-18-16)19-15(21)8-9-20-13-4-2-3-5-14(13)24-11-17(20)22/h2-7,10H,8-9,11H2,1H3,(H,19,21).
What are the key properties of N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide?
N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide has a molecular weight of 343.41 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide is sourced from PubChem (CID 9210880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).