6-aminopyridine-3-carboxylic acid;ethyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate;6-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]pyridine-3-carboxylic acid;4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]-1λ6,2-benzothiazine-3-carboxamide;propan-1-amine

C56H61N11O18S3 — CID 158797886

IUPAC6-aminopyridine-3-carboxylic acid;ethyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate;6-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]pyridine-3-carboxylic acid;4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]-1λ6,2-benzothiazine-3-carboxamide;propan-1-amine
SMILESCCCN.CCCNC(=O)c1ccc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)nc1.CCOC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C.CN1C(C(=O)Nc2ccc(C(=O)O)cn2)=C(O)c2ccccc2S1(=O)=O.Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C19H20N4O5S.C16H13N3O6S.C12H13NO5S.C6H6N2O2.C3H9N/c1-3-10-20-18(25)12-8-9-15(21-11-12)22-19(26)16-17(24)13-6-4-5-7-14(13)29(27,28)23(16)2;1-19-13(14(20)10-4-2-3-5-11(10)26(19,24)25)15(21)18-12-7-6-9(8-17-12)16(22)23;1-3-18-12(15)10-11(14)8-6-4-5-7-9(8)19(16,17)13(10)2;7-5-2-1-4(3-8-5)6(9)10;1-2-3-4/h4-9,11,24H,3,10H2,1-2H3,(H,20,25)(H,21,22,26);2-8,20H,1H3,(H,22,23)(H,17,18,21);4-7,14H,3H2,1-2H3;1-3H,(H2,7,8)(H,9,10);2-4H2,1H3
InChIKeyITBZUKOPTZBXCC-UHFFFAOYSA-N
MW1272.36 g/mol
LogP4.83
Rot. Bonds12

About 6-aminopyridine-3-carboxylic acid;ethyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate;6-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]pyridine-3-carboxylic acid;4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]-1λ6,2-benzothiazine-3-carboxamide;propan-1-amine

6-aminopyridine-3-carboxylic acid;ethyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate;6-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]pyridine-3-carboxylic acid;4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]-1λ6,2-benzothiazine-3-carboxamide;propan-1-amine (PubChem CID 158797886) has the molecular formula C56H61N11O18S3 and a molecular weight of 1272.36 g/mol. Its IUPAC name is 6-aminopyridine-3-carboxylic acid;ethyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate;6-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]pyridine-3-carboxylic acid;4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]-1λ6,2-benzothiazine-3-carboxamide;propan-1-amine.

Molecular Properties

Compound Name6-aminopyridine-3-carboxylic acid;ethyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate;6-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]pyridine-3-carboxylic acid;4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]-1λ6,2-benzothiazine-3-carboxamide;propan-1-amine
PubChem CID158797886
Molecular FormulaC56H61N11O18S3
Molecular Weight1272.36 g/mol
Exact Mass1271.34
IUPAC Name6-aminopyridine-3-carboxylic acid;ethyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate;6-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]pyridine-3-carboxylic acid;4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]-1λ6,2-benzothiazine-3-carboxamide;propan-1-amine
SMILESCCCN.CCCNC(=O)c1ccc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)nc1.CCOC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C.CN1C(C(=O)Nc2ccc(C(=O)O)cn2)=C(O)c2ccccc2S1(=O)=O.Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C19H20N4O5S.C16H13N3O6S.C12H13NO5S.C6H6N2O2.C3H9N/c1-3-10-20-18(25)12-8-9-15(21-11-12)22-19(26)16-17(24)13-6-4-5-7-14(13)29(27,28)23(16)2;1-19-13(14(20)10-4-2-3-5-11(10)26(19,24)25)15(21)18-12-7-6-9(8-17-12)16(22)23;1-3-18-12(15)10-11(14)8-6-4-5-7-9(8)19(16,17)13(10)2;7-5-2-1-4(3-8-5)6(9)10;1-2-3-4/h4-9,11,24H,3,10H2,1-2H3,(H,20,25)(H,21,22,26);2-8,20H,1H3,(H,22,23)(H,17,18,21);4-7,14H,3H2,1-2H3;1-3H,(H2,7,8)(H,9,10);2-4H2,1H3
InChIKeyITBZUKOPTZBXCC-UHFFFAOYSA-N
XLogP4.83
TPSA451.74 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001272.36
LogP ≤ 54.83
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1021

Analyze 6-aminopyridine-3-carboxylic acid;ethyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate;6-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]pyridine-3-carboxylic acid;4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]-1λ6,2-benzothiazine-3-carboxamide;propan-1-amine with MolForge

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Related Compounds

Piroxicam:succinic acid cocrystal (2:1)
CID 139062847
Piroxicam:fumaric acid cocrystal (4:1)
CID 139145416
Piroxicam:p-dioxane solvate (4:1)
CID 139145418
Piroxicam-succinic acid-acetonitrile (4/1/2)
CID 168308072
Cnx-pxc-EA
CID 168354588
[2-Methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)-1lambda6,2-benzothiazin-4-yl] 4-(morpholin-4-ylmethyl)benzoate
CID 13748939
5-[3-[6-(Dimethylamino)-1,1-dioxo-3,4-dihydro-1lambda6,2-benzothiazin-2-yl]-2-(hydroxymethyl)phenyl]-1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridin-2-one
CID 44554244
[2-Methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)-1lambda6,2-benzothiazin-4-yl] pyridine-3-carboxylate
CID 44621716
6-[(4-Hydroxy-2-methyl-1,1-dioxo-1lambda6,2-benzothiazine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 59810382
4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide
CID 59810393
4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]-1lambda6,2-benzothiazine-3-carboxamide
CID 59810614
4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1lambda6,2-benzothiazine-3-carboxamide;[2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)-1lambda6,2-benzothiazin-4-yl] (E)-3-phenylprop-2-enoate
CID 70146094

Frequently Asked Questions

What is the IUPAC name of 6-aminopyridine-3-carboxylic acid;ethyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate;6-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]pyridine-3-carboxylic acid;4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]-1λ6,2-benzothiazine-3-carboxamide;propan-1-amine?
The IUPAC name of 6-aminopyridine-3-carboxylic acid;ethyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate;6-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]pyridine-3-carboxylic acid;4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]-1λ6,2-benzothiazine-3-carboxamide;propan-1-amine (CID 158797886) is 6-aminopyridine-3-carboxylic acid;ethyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate;6-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]pyridine-3-carboxylic acid;4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]-1λ6,2-benzothiazine-3-carboxamide;propan-1-amine.
What is the SMILES notation for 6-aminopyridine-3-carboxylic acid;ethyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate;6-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]pyridine-3-carboxylic acid;4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]-1λ6,2-benzothiazine-3-carboxamide;propan-1-amine?
The canonical SMILES for 6-aminopyridine-3-carboxylic acid;ethyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate;6-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]pyridine-3-carboxylic acid;4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]-1λ6,2-benzothiazine-3-carboxamide;propan-1-amine is CCCN.CCCNC(=O)c1ccc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)nc1.CCOC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C.CN1C(C(=O)Nc2ccc(C(=O)O)cn2)=C(O)c2ccccc2S1(=O)=O.Nc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-aminopyridine-3-carboxylic acid;ethyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate;6-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]pyridine-3-carboxylic acid;4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]-1λ6,2-benzothiazine-3-carboxamide;propan-1-amine?
The InChIKey is ITBZUKOPTZBXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5S.C16H13N3O6S.C12H13NO5S.C6H6N2O2.C3H9N/c1-3-10-20-18(25)12-8-9-15(21-11-12)22-19(26)16-17(24)13-6-4-5-7-14(13)29(27,28)23(16)2;1-19-13(14(20)10-4-2-3-5-11(10)26(19,24)25)15(21)18-12-7-6-9(8-17-12)16(22)23;1-3-18-12(15)10-11(14)8-6-4-5-7-9(8)19(16,17)13(10)2;7-5-2-1-4(3-8-5)6(9)10;1-2-3-4/h4-9,11,24H,3,10H2,1-2H3,(H,20,25)(H,21,22,26);2-8,20H,1H3,(H,22,23)(H,17,18,21);4-7,14H,3H2,1-2H3;1-3H,(H2,7,8)(H,9,10);2-4H2,1H3.
What are the key properties of 6-aminopyridine-3-carboxylic acid;ethyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate;6-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]pyridine-3-carboxylic acid;4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]-1λ6,2-benzothiazine-3-carboxamide;propan-1-amine?
6-aminopyridine-3-carboxylic acid;ethyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate;6-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]pyridine-3-carboxylic acid;4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]-1λ6,2-benzothiazine-3-carboxamide;propan-1-amine has a molecular weight of 1272.36 g/mol, XLogP of 4.83, 12 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminopyridine-3-carboxylic acid;ethyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate;6-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]pyridine-3-carboxylic acid;4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]-1λ6,2-benzothiazine-3-carboxamide;propan-1-amine is sourced from PubChem (CID 158797886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).