N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[3-methyl-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide

C103H105F5N8O9 — CID 167590736

IUPACN-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[3-methyl-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3C)c(C)c2)cc1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3F)c(C)c2)cc1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3C)c(C)c2)cc1F.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3OC)c(C)c2)cc1F
InChIInChI=1S/C26H27FN2O3.2C26H27FN2O2.C25H24F2N2O2/c1-5-25(31)29(3)23-12-9-20(16-22(23)27)19-8-11-21(17(2)15-19)24(30)13-10-18-7-6-14-28-26(18)32-4;1-5-26(31)29(4)22-11-6-20(7-12-22)21-8-13-23(17(2)16-21)24(30)14-9-19-10-15-25(27)28-18(19)3;1-5-26(31)29(4)24-12-9-21(16-23(24)27)20-8-11-22(17(2)15-20)25(30)13-10-19-7-6-14-28-18(19)3;1-4-24(31)29(3)20-10-5-17(6-11-20)19-7-12-21(16(2)15-19)22(30)13-8-18-9-14-23(26)28-25(18)27/h6-9,11-12,14-16H,5,10,13H2,1-4H3;6-8,10-13,15-16H,5,9,14H2,1-4H3;6-9,11-12,14-16H,5,10,13H2,1-4H3;5-7,9-12,14-15H,4,8,13H2,1-3H3
InChIKeyIKADVVJFDQXPMF-UHFFFAOYSA-N
MW1694.01 g/mol
LogP22.30
Rot. Bonds29

About N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[3-methyl-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide

N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[3-methyl-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide (PubChem CID 167590736) has the molecular formula C103H105F5N8O9 and a molecular weight of 1694.01 g/mol. Its IUPAC name is N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[3-methyl-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[3-methyl-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide
PubChem CID167590736
Molecular FormulaC103H105F5N8O9
Molecular Weight1694.01 g/mol
Exact Mass1692.79
IUPAC NameN-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[3-methyl-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3C)c(C)c2)cc1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3F)c(C)c2)cc1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3C)c(C)c2)cc1F.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3OC)c(C)c2)cc1F
InChIInChI=1S/C26H27FN2O3.2C26H27FN2O2.C25H24F2N2O2/c1-5-25(31)29(3)23-12-9-20(16-22(23)27)19-8-11-21(17(2)15-19)24(30)13-10-18-7-6-14-28-26(18)32-4;1-5-26(31)29(4)22-11-6-20(7-12-22)21-8-13-23(17(2)16-21)24(30)14-9-19-10-15-25(27)28-18(19)3;1-5-26(31)29(4)24-12-9-21(16-23(24)27)20-8-11-22(17(2)15-20)25(30)13-10-19-7-6-14-28-18(19)3;1-4-24(31)29(3)20-10-5-17(6-11-20)19-7-12-21(16(2)15-19)22(30)13-8-18-9-14-23(26)28-25(18)27/h6-9,11-12,14-16H,5,10,13H2,1-4H3;6-8,10-13,15-16H,5,9,14H2,1-4H3;6-9,11-12,14-16H,5,10,13H2,1-4H3;5-7,9-12,14-15H,4,8,13H2,1-3H3
InChIKeyIKADVVJFDQXPMF-UHFFFAOYSA-N
XLogP22.30
TPSA210.31 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds29
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001694.01
LogP ≤ 522.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[3-methyl-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide with MolForge

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Related Compounds

6-(2-methoxypyridin-3-yl)-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]quinoline-4-carboxamide
CID 53464874
2-[3-(4-acetylphenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide;2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 67308255
2-[3-(4-acetylphenyl)phenyl]-N'-[2-[3-fluoro-5-(trifluoromethyl)phenyl]propanoyl]-N'-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanehydrazide
CID 67308259
1-[2-[[5-Methyl-6-[4-oxo-4-[2-(trifluoromethyl)phenyl]butanoyl]pyridin-2-yl]oxymethyl]phenyl]-4-[2-[[4-methyl-3-[4-oxo-4-[3-(trifluoromethyl)pyridin-2-yl]butanoyl]phenyl]methyl]phenyl]butane-1,4-dione
CID 123789948
1-[4-[5-[2-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-methoxy-3-pyridinyl]-6-methoxy-3-pyridinyl]-3-methylphenyl]ethanone;1-[4-[5-[2-[[(4R,5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,2-oxazol-3-yl]methyl]-4-(trifluoromethyl)phenyl]-6-methoxy-3-pyridinyl]-3,5-dimethylphenyl]ethanone;1-[4-[5-[2-[[(4R,5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,2-oxazol-3-yl]methyl]-4-(trifluoromethyl)phenyl]-6-methoxy-3-pyridinyl]-3-methylphenyl]ethanone;methane
CID 157248733
N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(1-ethyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(1-ethyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-(1-ethyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 157497609
5-[2-[3-(1,1-difluoroethyl)-5-fluorophenoxy]ethyl]-N-(2-methylbutyl)pyridine-2-carboxamide;5-[[2-(1,1-difluoroethyl)phenyl]methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;5-[2-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenoxy]ethyl]-N-(2-methylpropyl)pyridine-2-carboxamide;5-[(3-fluoro-4-methylphenyl)methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;5-[(3-fluorophenyl)methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;5-[2-[3-fluoro-5-(trifluoromethyl)phenoxy]ethyl]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 157907869
2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine
CID 158277324
1-(4-Methoxyphenyl)-4-[1-(4-methoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium;methyl 4-[[4-[2-fluoro-1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate;methyl 4-[[4-[3-fluoro-1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate;1-(2-methylphenyl)-4-[1-(2-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-methylphenyl)-4-[1-[4-(trifluoromethyl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium
CID 158552647
1-(3-Fluorophenyl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(3-fluorophenyl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(3-fluorophenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2-methylphenyl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-methyl-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-[2-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
CID 158564797
bis((3S)-4-ethoxy-1-(6-methoxy-3-pyridinyl)-3-[4-[6-(trifluoromethyl)quinolin-4-yl]cyclohexyl]butan-1-one);bis((3R)-4-ethoxy-1-(6-methoxy-3-pyridinyl)-3-[4-[6-(trifluoromethyl)quinolin-4-yl]cyclohexyl]butan-1-one)
CID 158631045
(3S)-4-methoxy-1-(6-methoxy-3-pyridinyl)-3-[4-[6-(trifluoromethyl)quinolin-4-yl]cyclohexyl]butan-1-one;(3R)-4-methoxy-1-(6-methoxy-3-pyridinyl)-3-[4-[6-(trifluoromethyl)quinolin-4-yl]cyclohexyl]butan-1-one
CID 158855744

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[3-methyl-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide?
The IUPAC name of N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[3-methyl-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide (CID 167590736) is N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[3-methyl-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide.
What is the SMILES notation for N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[3-methyl-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide?
The canonical SMILES for N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[3-methyl-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3C)c(C)c2)cc1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3F)c(C)c2)cc1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3C)c(C)c2)cc1F.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3OC)c(C)c2)cc1F.
What is the InChIKey of N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[3-methyl-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide?
The InChIKey is IKADVVJFDQXPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O3.2C26H27FN2O2.C25H24F2N2O2/c1-5-25(31)29(3)23-12-9-20(16-22(23)27)19-8-11-21(17(2)15-19)24(30)13-10-18-7-6-14-28-26(18)32-4;1-5-26(31)29(4)22-11-6-20(7-12-22)21-8-13-23(17(2)16-21)24(30)14-9-19-10-15-25(27)28-18(19)3;1-5-26(31)29(4)24-12-9-21(16-23(24)27)20-8-11-22(17(2)15-20)25(30)13-10-19-7-6-14-28-18(19)3;1-4-24(31)29(3)20-10-5-17(6-11-20)19-7-12-21(16(2)15-19)22(30)13-8-18-9-14-23(26)28-25(18)27/h6-9,11-12,14-16H,5,10,13H2,1-4H3;6-8,10-13,15-16H,5,9,14H2,1-4H3;6-9,11-12,14-16H,5,10,13H2,1-4H3;5-7,9-12,14-15H,4,8,13H2,1-3H3.
What are the key properties of N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[3-methyl-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide?
N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[3-methyl-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide has a molecular weight of 1694.01 g/mol, XLogP of 22.30, 29 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[3-methyl-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide is sourced from PubChem (CID 167590736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).