N-[(2-chloro-4-cyanophenyl)methyl]-6-(3-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-(4-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide;6-(2-chlorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;6-(2-cyanophenoxy)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;6-(3-cyanophenoxy)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-5-thiophen-2-ylpyridine-3-carboxamide

C164H122Cl6FN19O17S5 — CID 160651516

IUPACN-[(2-chloro-4-cyanophenyl)methyl]-6-(3-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-(4-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide;6-(2-chlorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;6-(2-cyanophenoxy)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;6-(3-cyanophenoxy)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-5-thiophen-2-ylpyridine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2ccc(CNC(=O)c3ccc(-c4ccccc4Cl)nc3)cc2)cc1.CS(=O)(=O)c1ccc(-c2ccc(CNC(=O)c3ccc(Oc4cccc(C#N)c4)nc3)cc2)cc1.CS(=O)(=O)c1ccc(-c2ccc(CNC(=O)c3ccc(Oc4ccccc4C#N)nc3)cc2)cc1.CS(=O)(=O)c1ccc(-c2ccc(CNC(=O)c3cncc(-c4cccs4)c3)cc2)cc1.N#Cc1ccc(CNC(=O)c2ccc(-c3ccc(Cl)cc3)nc2)c(Cl)c1.N#Cc1ccc(CNC(=O)c2ccc(-c3ccc(F)cc3)nc2)c(Cl)c1.N#Cc1ccc(CNC(=O)c2ccc(-c3cccc(Cl)c3)nc2)c(Cl)c1
InChIInChI=1S/2C27H21N3O4S.C26H21ClN2O3S.C24H20N2O3S2.2C20H13Cl2N3O.C20H13ClFN3O/c1-35(32,33)25-12-9-22(10-13-25)21-7-5-19(6-8-21)17-30-27(31)23-11-14-26(29-18-23)34-24-4-2-3-20(15-24)16-28;1-35(32,33)24-13-10-21(11-14-24)20-8-6-19(7-9-20)17-30-27(31)23-12-15-26(29-18-23)34-25-5-3-2-4-22(25)16-28;1-33(31,32)22-13-10-20(11-14-22)19-8-6-18(7-9-19)16-29-26(30)21-12-15-25(28-17-21)23-4-2-3-5-24(23)27;1-31(28,29)22-10-8-19(9-11-22)18-6-4-17(5-7-18)14-26-24(27)21-13-20(15-25-16-21)23-3-2-12-30-23;21-17-6-3-14(4-7-17)19-8-5-16(12-24-19)20(26)25-11-15-2-1-13(10-23)9-18(15)22;21-17-3-1-2-14(9-17)19-7-6-16(12-24-19)20(26)25-11-15-5-4-13(10-23)8-18(15)22;21-18-9-13(10-23)1-2-15(18)11-25-20(26)16-5-8-19(24-12-16)14-3-6-17(22)7-4-14/h2*2-15,18H,17H2,1H3,(H,30,31);2-15,17H,16H2,1H3,(H,29,30);2-13,15-16H,14H2,1H3,(H,26,27);3*1-9,12H,11H2,(H,25,26)
InChIKeyRKMGHVPXPZRDBM-UHFFFAOYSA-N
MW3022.95 g/mol
LogP33.76
Rot. Bonds38

About N-[(2-chloro-4-cyanophenyl)methyl]-6-(3-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-(4-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide;6-(2-chlorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;6-(2-cyanophenoxy)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;6-(3-cyanophenoxy)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-5-thiophen-2-ylpyridine-3-carboxamide

N-[(2-chloro-4-cyanophenyl)methyl]-6-(3-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-(4-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide;6-(2-chlorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;6-(2-cyanophenoxy)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;6-(3-cyanophenoxy)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-5-thiophen-2-ylpyridine-3-carboxamide (PubChem CID 160651516) has the molecular formula C164H122Cl6FN19O17S5 and a molecular weight of 3022.95 g/mol. Its IUPAC name is N-[(2-chloro-4-cyanophenyl)methyl]-6-(3-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-(4-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide;6-(2-chlorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;6-(2-cyanophenoxy)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;6-(3-cyanophenoxy)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-5-thiophen-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-cyanophenyl)methyl]-6-(3-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-(4-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide;6-(2-chlorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;6-(2-cyanophenoxy)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;6-(3-cyanophenoxy)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-5-thiophen-2-ylpyridine-3-carboxamide
PubChem CID160651516
Molecular FormulaC164H122Cl6FN19O17S5
Molecular Weight3022.95 g/mol
Exact Mass3017.60
IUPAC NameN-[(2-chloro-4-cyanophenyl)methyl]-6-(3-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-(4-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide;6-(2-chlorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;6-(2-cyanophenoxy)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;6-(3-cyanophenoxy)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-5-thiophen-2-ylpyridine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2ccc(CNC(=O)c3ccc(-c4ccccc4Cl)nc3)cc2)cc1.CS(=O)(=O)c1ccc(-c2ccc(CNC(=O)c3ccc(Oc4cccc(C#N)c4)nc3)cc2)cc1.CS(=O)(=O)c1ccc(-c2ccc(CNC(=O)c3ccc(Oc4ccccc4C#N)nc3)cc2)cc1.CS(=O)(=O)c1ccc(-c2ccc(CNC(=O)c3cncc(-c4cccs4)c3)cc2)cc1.N#Cc1ccc(CNC(=O)c2ccc(-c3ccc(Cl)cc3)nc2)c(Cl)c1.N#Cc1ccc(CNC(=O)c2ccc(-c3ccc(F)cc3)nc2)c(Cl)c1.N#Cc1ccc(CNC(=O)c2ccc(-c3cccc(Cl)c3)nc2)c(Cl)c1
InChIInChI=1S/2C27H21N3O4S.C26H21ClN2O3S.C24H20N2O3S2.2C20H13Cl2N3O.C20H13ClFN3O/c1-35(32,33)25-12-9-22(10-13-25)21-7-5-19(6-8-21)17-30-27(31)23-11-14-26(29-18-23)34-24-4-2-3-20(15-24)16-28;1-35(32,33)24-13-10-21(11-14-24)20-8-6-19(7-9-20)17-30-27(31)23-12-15-26(29-18-23)34-25-5-3-2-4-22(25)16-28;1-33(31,32)22-13-10-20(11-14-22)19-8-6-18(7-9-19)16-29-26(30)21-12-15-25(28-17-21)23-4-2-3-5-24(23)27;1-31(28,29)22-10-8-19(9-11-22)18-6-4-17(5-7-18)14-26-24(27)21-13-20(15-25-16-21)23-3-2-12-30-23;21-17-6-3-14(4-7-17)19-8-5-16(12-24-19)20(26)25-11-15-2-1-13(10-23)9-18(15)22;21-17-3-1-2-14(9-17)19-7-6-16(12-24-19)20(26)25-11-15-5-4-13(10-23)8-18(15)22;21-18-9-13(10-23)1-2-15(18)11-25-20(26)16-5-8-19(24-12-16)14-3-6-17(22)7-4-14/h2*2-15,18H,17H2,1H3,(H,30,31);2-15,17H,16H2,1H3,(H,29,30);2-13,15-16H,14H2,1H3,(H,26,27);3*1-9,12H,11H2,(H,25,26)
InChIKeyRKMGHVPXPZRDBM-UHFFFAOYSA-N
XLogP33.76
TPSA567.90 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds38
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003022.95
LogP ≤ 533.76
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1030

Analyze N-[(2-chloro-4-cyanophenyl)methyl]-6-(3-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-(4-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide;6-(2-chlorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;6-(2-cyanophenoxy)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;6-(3-cyanophenoxy)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-5-thiophen-2-ylpyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-cyanophenyl)methyl]-6-(3-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-(4-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide;6-(2-chlorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;6-(2-cyanophenoxy)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;6-(3-cyanophenoxy)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-5-thiophen-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[(2-chloro-4-cyanophenyl)methyl]-6-(3-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-(4-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide;6-(2-chlorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;6-(2-cyanophenoxy)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;6-(3-cyanophenoxy)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-5-thiophen-2-ylpyridine-3-carboxamide (CID 160651516) is N-[(2-chloro-4-cyanophenyl)methyl]-6-(3-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-(4-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide;6-(2-chlorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;6-(2-cyanophenoxy)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;6-(3-cyanophenoxy)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-5-thiophen-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-cyanophenyl)methyl]-6-(3-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-(4-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide;6-(2-chlorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;6-(2-cyanophenoxy)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;6-(3-cyanophenoxy)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-5-thiophen-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(2-chloro-4-cyanophenyl)methyl]-6-(3-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-(4-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide;6-(2-chlorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;6-(2-cyanophenoxy)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;6-(3-cyanophenoxy)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-5-thiophen-2-ylpyridine-3-carboxamide is CS(=O)(=O)c1ccc(-c2ccc(CNC(=O)c3ccc(-c4ccccc4Cl)nc3)cc2)cc1.CS(=O)(=O)c1ccc(-c2ccc(CNC(=O)c3ccc(Oc4cccc(C#N)c4)nc3)cc2)cc1.CS(=O)(=O)c1ccc(-c2ccc(CNC(=O)c3ccc(Oc4ccccc4C#N)nc3)cc2)cc1.CS(=O)(=O)c1ccc(-c2ccc(CNC(=O)c3cncc(-c4cccs4)c3)cc2)cc1.N#Cc1ccc(CNC(=O)c2ccc(-c3ccc(Cl)cc3)nc2)c(Cl)c1.N#Cc1ccc(CNC(=O)c2ccc(-c3ccc(F)cc3)nc2)c(Cl)c1.N#Cc1ccc(CNC(=O)c2ccc(-c3cccc(Cl)c3)nc2)c(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-cyanophenyl)methyl]-6-(3-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-(4-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide;6-(2-chlorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;6-(2-cyanophenoxy)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;6-(3-cyanophenoxy)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-5-thiophen-2-ylpyridine-3-carboxamide?
The InChIKey is RKMGHVPXPZRDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H21N3O4S.C26H21ClN2O3S.C24H20N2O3S2.2C20H13Cl2N3O.C20H13ClFN3O/c1-35(32,33)25-12-9-22(10-13-25)21-7-5-19(6-8-21)17-30-27(31)23-11-14-26(29-18-23)34-24-4-2-3-20(15-24)16-28;1-35(32,33)24-13-10-21(11-14-24)20-8-6-19(7-9-20)17-30-27(31)23-12-15-26(29-18-23)34-25-5-3-2-4-22(25)16-28;1-33(31,32)22-13-10-20(11-14-22)19-8-6-18(7-9-19)16-29-26(30)21-12-15-25(28-17-21)23-4-2-3-5-24(23)27;1-31(28,29)22-10-8-19(9-11-22)18-6-4-17(5-7-18)14-26-24(27)21-13-20(15-25-16-21)23-3-2-12-30-23;21-17-6-3-14(4-7-17)19-8-5-16(12-24-19)20(26)25-11-15-2-1-13(10-23)9-18(15)22;21-17-3-1-2-14(9-17)19-7-6-16(12-24-19)20(26)25-11-15-5-4-13(10-23)8-18(15)22;21-18-9-13(10-23)1-2-15(18)11-25-20(26)16-5-8-19(24-12-16)14-3-6-17(22)7-4-14/h2*2-15,18H,17H2,1H3,(H,30,31);2-15,17H,16H2,1H3,(H,29,30);2-13,15-16H,14H2,1H3,(H,26,27);3*1-9,12H,11H2,(H,25,26).
What are the key properties of N-[(2-chloro-4-cyanophenyl)methyl]-6-(3-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-(4-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide;6-(2-chlorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;6-(2-cyanophenoxy)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;6-(3-cyanophenoxy)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-5-thiophen-2-ylpyridine-3-carboxamide?
N-[(2-chloro-4-cyanophenyl)methyl]-6-(3-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-(4-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide;6-(2-chlorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;6-(2-cyanophenoxy)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;6-(3-cyanophenoxy)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-5-thiophen-2-ylpyridine-3-carboxamide has a molecular weight of 3022.95 g/mol, XLogP of 33.76, 38 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-cyanophenyl)methyl]-6-(3-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-(4-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-cyanophenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide;6-(2-chlorophenyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;6-(2-cyanophenoxy)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;6-(3-cyanophenoxy)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyridine-3-carboxamide;N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-5-thiophen-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 160651516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).