6-aminopyridine-3-carboxylic acid;4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide;6-[(4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carbonyl)amino]pyridine-3-carboxylic acid;methyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;propan-1-amine

C49H53N11O18S6 — CID 160828069

About 6-aminopyridine-3-carboxylic acid;4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide;6-[(4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carbonyl)amino]pyridine-3-carboxylic acid;methyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;propan-1-amine

6-aminopyridine-3-carboxylic acid;4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide;6-[(4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carbonyl)amino]pyridine-3-carboxylic acid;methyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;propan-1-amine (PubChem CID 160828069) has the molecular formula C49H53N11O18S6 and a molecular weight of 1276.42 g/mol. Its IUPAC name is 6-aminopyridine-3-carboxylic acid;4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide;6-[(4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carbonyl)amino]pyridine-3-carboxylic acid;methyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;propan-1-amine.

Molecular Properties

• Compound Name: 6-aminopyridine-3-carboxylic acid;4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide;6-[(4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carbonyl)amino]pyridine-3-carboxylic acid;methyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;propan-1-amine
• PubChem CID: 160828069
• Molecular Formula: C49H53N11O18S6
• Molecular Weight: 1276.42 g/mol
• Exact Mass: 1275.19
• IUPAC Name: 6-aminopyridine-3-carboxylic acid;4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide;6-[(4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carbonyl)amino]pyridine-3-carboxylic acid;methyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;propan-1-amine
• SMILES: CCCN.CCCNC(=O)c1ccc(NC(=O)C2=C(O)c3sccc3S(=O)(=O)N2C)nc1.CN1C(C(=O)Nc2ccc(C(=O)O)cn2)=C(O)c2sccc2S1(=O)=O.COC(=O)C1=C(O)c2sccc2S(=O)(=O)N1C.Nc1ccc(C(=O)O)cn1
• InChI: InChI=1S/C17H18N4O5S2.C14H11N3O6S2.C9H9NO5S2.C6H6N2O2.C3H9N/c1-3-7-18-16(23)10-4-5-12(19-9-10)20-17(24)13-14(22)15-11(6-8-27-15)28(25,26)21(13)2;1-17-10(11(18)12-8(4-5-24-12)25(17,22)23)13(19)16-9-3-2-7(6-15-9)14(20)21;1-10-6(9(12)15-2)7(11)8-5(3-4-16-8)17(10,13)14;7-5-2-1-4(3-8-5)6(9)10;1-2-3-4/h4-6,8-9,22H,3,7H2,1-2H3,(H,18,23)(H,19,20,24);2-6,18H,1H3,(H,20,21)(H,15,16,19);3-4,11H,1-2H3;1-3H,(H2,7,8)(H,9,10);2-4H2,1H3
• InChIKey: SGLCBAOMTHVNSV-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 451.74 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 11
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1276.42
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 6-aminopyridine-3-carboxylic acid;4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide;6-[(4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carbonyl)amino]pyridine-3-carboxylic acid;methyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;propan-1-amine?

The IUPAC name of 6-aminopyridine-3-carboxylic acid;4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide;6-[(4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carbonyl)amino]pyridine-3-carboxylic acid;methyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;propan-1-amine (CID 160828069) is 6-aminopyridine-3-carboxylic acid;4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide;6-[(4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carbonyl)amino]pyridine-3-carboxylic acid;methyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;propan-1-amine.

What is the SMILES notation for 6-aminopyridine-3-carboxylic acid;4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide;6-[(4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carbonyl)amino]pyridine-3-carboxylic acid;methyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;propan-1-amine?

The canonical SMILES for 6-aminopyridine-3-carboxylic acid;4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide;6-[(4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carbonyl)amino]pyridine-3-carboxylic acid;methyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;propan-1-amine is CCCN.CCCNC(=O)c1ccc(NC(=O)C2=C(O)c3sccc3S(=O)(=O)N2C)nc1.CN1C(C(=O)Nc2ccc(C(=O)O)cn2)=C(O)c2sccc2S1(=O)=O.COC(=O)C1=C(O)c2sccc2S(=O)(=O)N1C.Nc1ccc(C(=O)O)cn1.

What is the InChIKey of 6-aminopyridine-3-carboxylic acid;4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide;6-[(4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carbonyl)amino]pyridine-3-carboxylic acid;methyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;propan-1-amine?

The InChIKey is SGLCBAOMTHVNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O5S2.C14H11N3O6S2.C9H9NO5S2.C6H6N2O2.C3H9N/c1-3-7-18-16(23)10-4-5-12(19-9-10)20-17(24)13-14(22)15-11(6-8-27-15)28(25,26)21(13)2;1-17-10(11(18)12-8(4-5-24-12)25(17,22)23)13(19)16-9-3-2-7(6-15-9)14(20)21;1-10-6(9(12)15-2)7(11)8-5(3-4-16-8)17(10,13)14;7-5-2-1-4(3-8-5)6(9)10;1-2-3-4/h4-6,8-9,22H,3,7H2,1-2H3,(H,18,23)(H,19,20,24);2-6,18H,1H3,(H,20,21)(H,15,16,19);3-4,11H,1-2H3;1-3H,(H2,7,8)(H,9,10);2-4H2,1H3.

What are the key properties of 6-aminopyridine-3-carboxylic acid;4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide;6-[(4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carbonyl)amino]pyridine-3-carboxylic acid;methyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;propan-1-amine?

6-aminopyridine-3-carboxylic acid;4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide;6-[(4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carbonyl)amino]pyridine-3-carboxylic acid;methyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;propan-1-amine has a molecular weight of 1276.42 g/mol, XLogP of 4.62, 11 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-aminopyridine-3-carboxylic acid;4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide;6-[(4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carbonyl)amino]pyridine-3-carboxylic acid;methyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;propan-1-amine is sourced from PubChem (CID 160828069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).