4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-methylpyridin-2-amine;N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;4-methoxy-N-methylpyridin-2-amine;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate;N-methyl-4-pyrazol-1-ylpyridin-2-amine;N-methylpyridin-3-amine

C132H190N38O21S6 — CID 159228887

About 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-methylpyridin-2-amine;N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;4-methoxy-N-methylpyridin-2-amine;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate;N-methyl-4-pyrazol-1-ylpyridin-2-amine;N-methylpyridin-3-amine

4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-methylpyridin-2-amine;N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;4-methoxy-N-methylpyridin-2-amine;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate;N-methyl-4-pyrazol-1-ylpyridin-2-amine;N-methylpyridin-3-amine (PubChem CID 159228887) has the molecular formula C132H190N38O21S6 and a molecular weight of 2837.62 g/mol. Its IUPAC name is 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-methylpyridin-2-amine;N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;4-methoxy-N-methylpyridin-2-amine;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate;N-methyl-4-pyrazol-1-ylpyridin-2-amine;N-methylpyridin-3-amine.

Molecular Properties

• Compound Name: 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-methylpyridin-2-amine;N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;4-methoxy-N-methylpyridin-2-amine;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate;N-methyl-4-pyrazol-1-ylpyridin-2-amine;N-methylpyridin-3-amine
• PubChem CID: 159228887
• Molecular Formula: C132H190N38O21S6
• Molecular Weight: 2837.62 g/mol
• Exact Mass: 2835.33
• IUPAC Name: 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-methylpyridin-2-amine;N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;4-methoxy-N-methylpyridin-2-amine;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate;N-methyl-4-pyrazol-1-ylpyridin-2-amine;N-methylpyridin-3-amine
• SMILES: CCCCc1nc(NC)sc1C(=O)N(C)C.CCOC(=O)Cc1csc(NC)n1.CCOC(=O)c1cc(C)nc(CC)c1.CCOC(=O)c1cc(NC)nn1C.CCOC(=O)c1ccnc(CC)c1.CCOC(=O)c1nnc(NC)s1.CCOC(=O)c1sc(NC)nc1C.CCn1cc(NC)cc1C(=O)OC.CNC(=O)c1sc(NC)nc1C.CNc1cc(-n2cccn2)ccn1.CNc1cc(-n2nc(C)cc2C)ccn1.CNc1cc(C(=O)OC)n(C)c1.CNc1cc(OC)ccn1.CNc1cccc(C)n1.CNc1cccnc1.CNc1nc(C(=O)OC)cs1
• InChI: InChI=1S/C11H14N4.C11H19N3OS.C11H15NO2.C10H13NO2.C9H10N4.C9H14N2O2.C8H13N3O2.2C8H12N2O2S.C8H12N2O2.C7H11N3OS.C7H10N2O.C7H10N2.C6H9N3O2S.C6H8N2O2S.C6H8N2/c1-8-6-9(2)15(14-8)10-4-5-13-11(7-10)12-3;1-5-6-7-8-9(10(15)14(3)4)16-11(12-2)13-8;1-4-10-7-9(6-8(3)12-10)11(13)14-5-2;1-3-9-7-8(5-6-11-9)10(12)13-4-2;1-10-9-7-8(3-5-11-9)13-6-2-4-12-13;1-4-11-6-7(10-2)5-8(11)9(12)13-3;1-4-13-8(12)6-5-7(9-2)10-11(6)3;1-4-12-7(11)6-5(2)10-8(9-3)13-6;1-3-12-7(11)4-6-5-13-8(9-2)10-6;1-9-6-4-7(8(11)12-3)10(2)5-6;1-4-5(6(11)8-2)12-7(9-3)10-4;1-8-7-5-6(10-2)3-4-9-7;1-6-4-3-5-7(8-2)9-6;1-3-11-5(10)4-8-9-6(7-2)12-4;1-7-6-8-4(3-11-6)5(9)10-2;1-7-6-3-2-4-8-5-6/h4-7H,1-3H3,(H,12,13);5-7H2,1-4H3,(H,12,13);6-7H,4-5H2,1-3H3;5-7H,3-4H2,1-2H3;2-7H,1H3,(H,10,11);5-6,10H,4H2,1-3H3;5H,4H2,1-3H3,(H,9,10);4H2,1-3H3,(H,9,10);5H,3-4H2,1-2H3,(H,9,10);4-5,9H,1-3H3;1-3H3,(H,8,11)(H,9,10);3-5H,1-2H3,(H,8,9);3-5H,1-2H3,(H,8,9);3H2,1-2H3,(H,7,9);3H,1-2H3,(H,7,8);2-5,7H,1H3
• InChIKey: KSQHEZANOIVSLN-UHFFFAOYSA-N
• XLogP: 21.47
• TPSA: 707.54 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 63
• Rotatable Bonds: 41
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2837.62
LogP ≤ 5	21.47
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	63

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-methylpyridin-2-amine;N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;4-methoxy-N-methylpyridin-2-amine;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate;N-methyl-4-pyrazol-1-ylpyridin-2-amine;N-methylpyridin-3-amine?

The IUPAC name of 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-methylpyridin-2-amine;N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;4-methoxy-N-methylpyridin-2-amine;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate;N-methyl-4-pyrazol-1-ylpyridin-2-amine;N-methylpyridin-3-amine (CID 159228887) is 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-methylpyridin-2-amine;N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;4-methoxy-N-methylpyridin-2-amine;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate;N-methyl-4-pyrazol-1-ylpyridin-2-amine;N-methylpyridin-3-amine.

What is the SMILES notation for 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-methylpyridin-2-amine;N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;4-methoxy-N-methylpyridin-2-amine;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate;N-methyl-4-pyrazol-1-ylpyridin-2-amine;N-methylpyridin-3-amine?

The canonical SMILES for 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-methylpyridin-2-amine;N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;4-methoxy-N-methylpyridin-2-amine;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate;N-methyl-4-pyrazol-1-ylpyridin-2-amine;N-methylpyridin-3-amine is CCCCc1nc(NC)sc1C(=O)N(C)C.CCOC(=O)Cc1csc(NC)n1.CCOC(=O)c1cc(C)nc(CC)c1.CCOC(=O)c1cc(NC)nn1C.CCOC(=O)c1ccnc(CC)c1.CCOC(=O)c1nnc(NC)s1.CCOC(=O)c1sc(NC)nc1C.CCn1cc(NC)cc1C(=O)OC.CNC(=O)c1sc(NC)nc1C.CNc1cc(-n2cccn2)ccn1.CNc1cc(-n2nc(C)cc2C)ccn1.CNc1cc(C(=O)OC)n(C)c1.CNc1cc(OC)ccn1.CNc1cccc(C)n1.CNc1cccnc1.CNc1nc(C(=O)OC)cs1.

What is the InChIKey of 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-methylpyridin-2-amine;N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;4-methoxy-N-methylpyridin-2-amine;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate;N-methyl-4-pyrazol-1-ylpyridin-2-amine;N-methylpyridin-3-amine?

The InChIKey is KSQHEZANOIVSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4.C11H19N3OS.C11H15NO2.C10H13NO2.C9H10N4.C9H14N2O2.C8H13N3O2.2C8H12N2O2S.C8H12N2O2.C7H11N3OS.C7H10N2O.C7H10N2.C6H9N3O2S.C6H8N2O2S.C6H8N2/c1-8-6-9(2)15(14-8)10-4-5-13-11(7-10)12-3;1-5-6-7-8-9(10(15)14(3)4)16-11(12-2)13-8;1-4-10-7-9(6-8(3)12-10)11(13)14-5-2;1-3-9-7-8(5-6-11-9)10(12)13-4-2;1-10-9-7-8(3-5-11-9)13-6-2-4-12-13;1-4-11-6-7(10-2)5-8(11)9(12)13-3;1-4-13-8(12)6-5-7(9-2)10-11(6)3;1-4-12-7(11)6-5(2)10-8(9-3)13-6;1-3-12-7(11)4-6-5-13-8(9-2)10-6;1-9-6-4-7(8(11)12-3)10(2)5-6;1-4-5(6(11)8-2)12-7(9-3)10-4;1-8-7-5-6(10-2)3-4-9-7;1-6-4-3-5-7(8-2)9-6;1-3-11-5(10)4-8-9-6(7-2)12-4;1-7-6-8-4(3-11-6)5(9)10-2;1-7-6-3-2-4-8-5-6/h4-7H,1-3H3,(H,12,13);5-7H2,1-4H3,(H,12,13);6-7H,4-5H2,1-3H3;5-7H,3-4H2,1-2H3;2-7H,1H3,(H,10,11);5-6,10H,4H2,1-3H3;5H,4H2,1-3H3,(H,9,10);4H2,1-3H3,(H,9,10);5H,3-4H2,1-2H3,(H,9,10);4-5,9H,1-3H3;1-3H3,(H,8,11)(H,9,10);3-5H,1-2H3,(H,8,9);3-5H,1-2H3,(H,8,9);3H2,1-2H3,(H,7,9);3H,1-2H3,(H,7,8);2-5,7H,1H3.

What are the key properties of 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-methylpyridin-2-amine;N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;4-methoxy-N-methylpyridin-2-amine;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate;N-methyl-4-pyrazol-1-ylpyridin-2-amine;N-methylpyridin-3-amine?

4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-methylpyridin-2-amine;N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;4-methoxy-N-methylpyridin-2-amine;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate;N-methyl-4-pyrazol-1-ylpyridin-2-amine;N-methylpyridin-3-amine has a molecular weight of 2837.62 g/mol, XLogP of 21.47, 41 rotatable bonds, 15 hydrogen bond donors, and 63 hydrogen bond acceptors.

Where does this data come from?

All data for 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-methylpyridin-2-amine;N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;4-methoxy-N-methylpyridin-2-amine;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate;N-methyl-4-pyrazol-1-ylpyridin-2-amine;N-methylpyridin-3-amine is sourced from PubChem (CID 159228887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).