N-[3-(6-amino-5-cyano-4-methyl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(2-amino-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(6-amino-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-amino-5-cyano-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(methylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(methylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

C127H94F18N26O6 — CID 158084549

IUPACN-[3-(6-amino-5-cyano-4-methyl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(2-amino-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(6-amino-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-amino-5-cyano-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(methylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(methylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCNc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)cc1C#N.CNc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)cnc2C)cc1C#N.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(C#N)cnc1N.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(N)c(C#N)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(N)c(C#N)c1C.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(N)c(C#N)c1
InChIInChI=1S/2C22H17F3N4O.C21H16F3N5O.2C21H15F3N4O.C20H14F3N5O/c1-13-6-7-18(10-19(13)16-8-15(11-26)20(27-2)28-12-16)29-21(30)14-4-3-5-17(9-14)22(23,24)25;1-12-6-7-16(9-17(12)19-11-28-20(27)18(10-26)13(19)2)29-21(30)14-4-3-5-15(8-14)22(23,24)25;1-12-18(15-6-14(9-25)19(26-2)28-10-15)8-17(11-27-12)29-20(30)13-4-3-5-16(7-13)21(22,23)24;1-12-5-6-16(9-17(12)18-7-13(10-25)11-27-19(18)26)28-20(29)14-3-2-4-15(8-14)21(22,23)24;1-12-5-6-17(9-18(12)15-7-14(10-25)19(26)27-11-15)28-20(29)13-3-2-4-16(8-13)21(22,23)24;1-11-17(14-5-13(8-24)18(25)27-9-14)7-16(10-26-11)28-19(29)12-3-2-4-15(6-12)20(21,22)23/h3-10,12H,1-2H3,(H,27,28)(H,29,30);3-9,11H,1-2H3,(H2,27,28)(H,29,30);3-8,10-11H,1-2H3,(H,26,28)(H,29,30);2*2-9,11H,1H3,(H2,26,27)(H,28,29);2-7,9-10H,1H3,(H2,25,27)(H,28,29)
InChIKeyFNIUQCWUUBDKPU-UHFFFAOYSA-N
MW2422.29 g/mol
LogP28.71
Rot. Bonds20

About N-[3-(6-amino-5-cyano-4-methyl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(2-amino-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(6-amino-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-amino-5-cyano-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(methylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(methylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

N-[3-(6-amino-5-cyano-4-methyl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(2-amino-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(6-amino-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-amino-5-cyano-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(methylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(methylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 158084549) has the molecular formula C127H94F18N26O6 and a molecular weight of 2422.29 g/mol. Its IUPAC name is N-[3-(6-amino-5-cyano-4-methyl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(2-amino-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(6-amino-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-amino-5-cyano-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(methylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(methylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(6-amino-5-cyano-4-methyl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(2-amino-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(6-amino-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-amino-5-cyano-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(methylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(methylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID158084549
Molecular FormulaC127H94F18N26O6
Molecular Weight2422.29 g/mol
Exact Mass2420.76
IUPAC NameN-[3-(6-amino-5-cyano-4-methyl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(2-amino-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(6-amino-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-amino-5-cyano-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(methylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(methylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCNc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)cc1C#N.CNc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)cnc2C)cc1C#N.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(C#N)cnc1N.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(N)c(C#N)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(N)c(C#N)c1C.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(N)c(C#N)c1
InChIInChI=1S/2C22H17F3N4O.C21H16F3N5O.2C21H15F3N4O.C20H14F3N5O/c1-13-6-7-18(10-19(13)16-8-15(11-26)20(27-2)28-12-16)29-21(30)14-4-3-5-17(9-14)22(23,24)25;1-12-6-7-16(9-17(12)19-11-28-20(27)18(10-26)13(19)2)29-21(30)14-4-3-5-15(8-14)22(23,24)25;1-12-18(15-6-14(9-25)19(26-2)28-10-15)8-17(11-27-12)29-20(30)13-4-3-5-16(7-13)21(22,23)24;1-12-5-6-16(9-17(12)18-7-13(10-25)11-27-19(18)26)28-20(29)14-3-2-4-15(8-14)21(22,23)24;1-12-5-6-17(9-18(12)15-7-14(10-25)19(26)27-11-15)28-20(29)13-3-2-4-16(8-13)21(22,23)24;1-11-17(14-5-13(8-24)18(25)27-9-14)7-16(10-26-11)28-19(29)12-3-2-4-15(6-12)20(21,22)23/h3-10,12H,1-2H3,(H,27,28)(H,29,30);3-9,11H,1-2H3,(H2,27,28)(H,29,30);3-8,10-11H,1-2H3,(H,26,28)(H,29,30);2*2-9,11H,1H3,(H2,26,27)(H,28,29);2-7,9-10H,1H3,(H2,25,27)(H,28,29)
InChIKeyFNIUQCWUUBDKPU-UHFFFAOYSA-N
XLogP28.71
TPSA548.60 Ų
H-Bond Donors12
H-Bond Acceptors26
Rotatable Bonds20
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002422.29
LogP ≤ 528.71
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1026

Analyze N-[3-(6-amino-5-cyano-4-methyl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(2-amino-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(6-amino-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-amino-5-cyano-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(methylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(methylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-4-methyl-3-(2-(5-(2-methyl-6-(piperazin-1-yl)pyrimidin-4-ylamino)pyrazin-2-yl)vinyl)benzamide
CID 24816492
[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(3-pyridin-4-ylphenyl)methanone
CID 119098944
3-[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]benzonitrile
CID 119099010
2-[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]benzonitrile
CID 119099037
N-[5-(5-cyano-3-pyridinyl)-2-(2-methylanilino)-3-pyridinyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 167512001
3-[2-(8-amino-1,7-naphthyridin-5-yl)ethynyl]-4-cyano-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 156598096
3-[2-(8-amino-1,7-naphthyridin-5-yl)ethynyl]-2-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 156598098
N-[4-[(4-ethylpiperazino)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[(E)-2-[5-[(2-methyl-6-piperazino-pyrimidin-4-yl)amino]pyrazin-2-yl]vinyl]benzamide;2,2,2-trifluoroacetic acid
CID 24816493
US20250090540, Example I-83
CID 167512354
US12319655, Example 185
CID 168929346
US12319655, Example 132
CID 168929507
US12319655, Example 62
CID 168929623

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-amino-5-cyano-4-methyl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(2-amino-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(6-amino-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-amino-5-cyano-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(methylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(methylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(6-amino-5-cyano-4-methyl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(2-amino-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(6-amino-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-amino-5-cyano-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(methylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(methylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 158084549) is N-[3-(6-amino-5-cyano-4-methyl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(2-amino-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(6-amino-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-amino-5-cyano-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(methylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(methylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(6-amino-5-cyano-4-methyl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(2-amino-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(6-amino-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-amino-5-cyano-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(methylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(methylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(6-amino-5-cyano-4-methyl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(2-amino-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(6-amino-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-amino-5-cyano-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(methylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(methylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is CNc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)cc1C#N.CNc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)cnc2C)cc1C#N.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(C#N)cnc1N.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(N)c(C#N)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(N)c(C#N)c1C.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(N)c(C#N)c1.
What is the InChIKey of N-[3-(6-amino-5-cyano-4-methyl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(2-amino-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(6-amino-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-amino-5-cyano-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(methylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(methylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is FNIUQCWUUBDKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H17F3N4O.C21H16F3N5O.2C21H15F3N4O.C20H14F3N5O/c1-13-6-7-18(10-19(13)16-8-15(11-26)20(27-2)28-12-16)29-21(30)14-4-3-5-17(9-14)22(23,24)25;1-12-6-7-16(9-17(12)19-11-28-20(27)18(10-26)13(19)2)29-21(30)14-4-3-5-15(8-14)22(23,24)25;1-12-18(15-6-14(9-25)19(26-2)28-10-15)8-17(11-27-12)29-20(30)13-4-3-5-16(7-13)21(22,23)24;1-12-5-6-16(9-17(12)18-7-13(10-25)11-27-19(18)26)28-20(29)14-3-2-4-15(8-14)21(22,23)24;1-12-5-6-17(9-18(12)15-7-14(10-25)19(26)27-11-15)28-20(29)13-3-2-4-16(8-13)21(22,23)24;1-11-17(14-5-13(8-24)18(25)27-9-14)7-16(10-26-11)28-19(29)12-3-2-4-15(6-12)20(21,22)23/h3-10,12H,1-2H3,(H,27,28)(H,29,30);3-9,11H,1-2H3,(H2,27,28)(H,29,30);3-8,10-11H,1-2H3,(H,26,28)(H,29,30);2*2-9,11H,1H3,(H2,26,27)(H,28,29);2-7,9-10H,1H3,(H2,25,27)(H,28,29).
What are the key properties of N-[3-(6-amino-5-cyano-4-methyl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(2-amino-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(6-amino-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-amino-5-cyano-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(methylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(methylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[3-(6-amino-5-cyano-4-methyl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(2-amino-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(6-amino-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-amino-5-cyano-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(methylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(methylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 2422.29 g/mol, XLogP of 28.71, 20 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-amino-5-cyano-4-methyl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(2-amino-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(6-amino-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-amino-5-cyano-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(methylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(methylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 158084549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).