2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylpropanamide

C16H15N3O2S — CID 4661609

IUPAC2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylpropanamide
SMILESCC(C(=O)Nc1cccnc1)C1Sc2ccccc2NC1=O
InChIInChI=1S/C16H15N3O2S/c1-10(15(20)18-11-5-4-8-17-9-11)14-16(21)19-12-6-2-3-7-13(12)22-14/h2-10,14H,1H3,(H,18,20)(H,19,21)
InChIKeyPJBJAPUBMBSHQR-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.77
Rot. Bonds3

About 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylpropanamide

2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylpropanamide (PubChem CID 4661609) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylpropanamide
PubChem CID4661609
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylpropanamide
SMILESCC(C(=O)Nc1cccnc1)C1Sc2ccccc2NC1=O
InChIInChI=1S/C16H15N3O2S/c1-10(15(20)18-11-5-4-8-17-9-11)14-16(21)19-12-6-2-3-7-13(12)22-14/h2-10,14H,1H3,(H,18,20)(H,19,21)
InChIKeyPJBJAPUBMBSHQR-UHFFFAOYSA-N
XLogP2.77
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylpropanamide?
The IUPAC name of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylpropanamide (CID 4661609) is 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylpropanamide?
The canonical SMILES for 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylpropanamide is CC(C(=O)Nc1cccnc1)C1Sc2ccccc2NC1=O.
What is the InChIKey of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylpropanamide?
The InChIKey is PJBJAPUBMBSHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-10(15(20)18-11-5-4-8-17-9-11)14-16(21)19-12-6-2-3-7-13(12)22-14/h2-10,14H,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylpropanamide?
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylpropanamide has a molecular weight of 313.38 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 4661609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).