2-methyl-3-oxo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-4H-1,4-benzothiazine-6-carboxamide

C19H20N4O3S — CID 47076374

About 2-methyl-3-oxo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-4H-1,4-benzothiazine-6-carboxamide

2-methyl-3-oxo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 47076374) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-methyl-3-oxo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-3-oxo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-4H-1,4-benzothiazine-6-carboxamide
• PubChem CID: 47076374
• Molecular Formula: C19H20N4O3S
• Molecular Weight: 384.46 g/mol
• Exact Mass: 384.13
• IUPAC Name: 2-methyl-3-oxo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-4H-1,4-benzothiazine-6-carboxamide
• SMILES: CC1Sc2ccc(C(=O)NCCC(=O)NCc3cccnc3)cc2NC1=O
• InChI: InChI=1S/C19H20N4O3S/c1-12-18(25)23-15-9-14(4-5-16(15)27-12)19(26)21-8-6-17(24)22-11-13-3-2-7-20-10-13/h2-5,7,9-10,12H,6,8,11H2,1H3,(H,21,26)(H,22,24)(H,23,25)
• InChIKey: FFEQUKUTZDYJRC-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 100.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.46
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-4H-1,4-benzothiazine-6-carboxamide?

The IUPAC name of 2-methyl-3-oxo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-4H-1,4-benzothiazine-6-carboxamide (CID 47076374) is 2-methyl-3-oxo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-4H-1,4-benzothiazine-6-carboxamide.

What is the SMILES notation for 2-methyl-3-oxo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-4H-1,4-benzothiazine-6-carboxamide?

The canonical SMILES for 2-methyl-3-oxo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-4H-1,4-benzothiazine-6-carboxamide is CC1Sc2ccc(C(=O)NCCC(=O)NCc3cccnc3)cc2NC1=O.

What is the InChIKey of 2-methyl-3-oxo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-4H-1,4-benzothiazine-6-carboxamide?

The InChIKey is FFEQUKUTZDYJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-12-18(25)23-15-9-14(4-5-16(15)27-12)19(26)21-8-6-17(24)22-11-13-3-2-7-20-10-13/h2-5,7,9-10,12H,6,8,11H2,1H3,(H,21,26)(H,22,24)(H,23,25).

What are the key properties of 2-methyl-3-oxo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-4H-1,4-benzothiazine-6-carboxamide?

2-methyl-3-oxo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-3-oxo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 47076374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).