1-[3-(5-bromo-3-pyridinyl)phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-oxo-1H-pyridin-3-yl)phenyl]-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide

C100H79BrN16O11 — CID 160524811

IUPAC1-[3-(5-bromo-3-pyridinyl)phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-oxo-1H-pyridin-3-yl)phenyl]-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)c[n+]1[O-].O=C(NC1CC1)c1cn(-c2cccc(-c3ccc(=O)[nH]c3)c2)c2ncccc2c1=O.O=C(NC1CC1)c1cn(-c2cccc(-c3ccc(OCc4ccccc4)nc3)c2)c2ncccc2c1=O.O=C(NC1CC1)c1cn(-c2cccc(-c3cncc(Br)c3)c2)c2ncccc2c1=O
InChIInChI=1S/C30H24N4O3.C24H20N4O3.C23H17BrN4O2.C23H18N4O3/c35-28-25-10-5-15-31-29(25)34(18-26(28)30(36)33-23-12-13-23)24-9-4-8-21(16-24)22-11-14-27(32-17-22)37-19-20-6-2-1-3-7-20;1-15-7-8-17(13-28(15)31)16-4-2-5-19(12-16)27-14-21(24(30)26-18-9-10-18)22(29)20-6-3-11-25-23(20)27;24-16-9-15(11-25-12-16)14-3-1-4-18(10-14)28-13-20(23(30)27-17-6-7-17)21(29)19-5-2-8-26-22(19)28;28-20-9-6-15(12-25-20)14-3-1-4-17(11-14)27-13-19(23(30)26-16-7-8-16)21(29)18-5-2-10-24-22(18)27/h1-11,14-18,23H,12-13,19H2,(H,33,36);2-8,11-14,18H,9-10H2,1H3,(H,26,30);1-5,8-13,17H,6-7H2,(H,27,30);1-6,9-13,16H,7-8H2,(H,25,28)(H,26,30)
InChIKeyQUTDTHBGFVYHNM-UHFFFAOYSA-N
MW1760.74 g/mol
LogP14.54
Rot. Bonds19

About 1-[3-(5-bromo-3-pyridinyl)phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-oxo-1H-pyridin-3-yl)phenyl]-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide

1-[3-(5-bromo-3-pyridinyl)phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-oxo-1H-pyridin-3-yl)phenyl]-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 160524811) has the molecular formula C100H79BrN16O11 and a molecular weight of 1760.74 g/mol. Its IUPAC name is 1-[3-(5-bromo-3-pyridinyl)phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-oxo-1H-pyridin-3-yl)phenyl]-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(5-bromo-3-pyridinyl)phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-oxo-1H-pyridin-3-yl)phenyl]-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide
PubChem CID160524811
Molecular FormulaC100H79BrN16O11
Molecular Weight1760.74 g/mol
Exact Mass1758.53
IUPAC Name1-[3-(5-bromo-3-pyridinyl)phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-oxo-1H-pyridin-3-yl)phenyl]-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)c[n+]1[O-].O=C(NC1CC1)c1cn(-c2cccc(-c3ccc(=O)[nH]c3)c2)c2ncccc2c1=O.O=C(NC1CC1)c1cn(-c2cccc(-c3ccc(OCc4ccccc4)nc3)c2)c2ncccc2c1=O.O=C(NC1CC1)c1cn(-c2cccc(-c3cncc(Br)c3)c2)c2ncccc2c1=O
InChIInChI=1S/C30H24N4O3.C24H20N4O3.C23H17BrN4O2.C23H18N4O3/c35-28-25-10-5-15-31-29(25)34(18-26(28)30(36)33-23-12-13-23)24-9-4-8-21(16-24)22-11-14-27(32-17-22)37-19-20-6-2-1-3-7-20;1-15-7-8-17(13-28(15)31)16-4-2-5-19(12-16)27-14-21(24(30)26-18-9-10-18)22(29)20-6-3-11-25-23(20)27;24-16-9-15(11-25-12-16)14-3-1-4-18(10-14)28-13-20(23(30)27-17-6-7-17)21(29)19-5-2-8-26-22(19)28;28-20-9-6-15(12-25-20)14-3-1-4-17(11-14)27-13-19(23(30)26-16-7-8-16)21(29)18-5-2-10-24-22(18)27/h1-11,14-18,23H,12-13,19H2,(H,33,36);2-8,11-14,18H,9-10H2,1H3,(H,26,30);1-5,8-13,17H,6-7H2,(H,27,30);1-6,9-13,16H,7-8H2,(H,25,28)(H,26,30)
InChIKeyQUTDTHBGFVYHNM-UHFFFAOYSA-N
XLogP14.54
TPSA350.77 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001760.74
LogP ≤ 514.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-[3-(5-bromo-3-pyridinyl)phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-oxo-1H-pyridin-3-yl)phenyl]-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-1-[3-(6-methoxy-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide
CID 159469047
n-Cyclopropyl-1-[3-(6-benzyloxypyridin-3-yl)phenyl]-1,4-dihydro[1,8]naphthyridin-4-one-3-carboxamide
CID 10299946
ethyl 1-oxido-5-[3-[4-oxo-3-(propan-2-ylcarbamoyl)-1,8-naphthyridin-1-yl]phenyl]pyridin-1-ium-3-carboxylate;1-[3-[5-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-3-yl]phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide;1-[3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide;1-[3-[6-(2-methylpropyl)-3-pyridinyl]phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 157813790
2-bromopyridine-3-carbaldehyde;1-[3-[(E)-2-methoxyethenyl]-2-pyridinyl]piperidin-2-one;2-(2-oxopiperidin-1-yl)pyridine-3-carbaldehyde;2-[2-(2-oxopiperidin-1-yl)-3-pyridinyl]acetaldehyde;1-[3-[2-[3-(6-propan-2-yloxy-2-pyridinyl)pyrrolidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one;2-propan-2-yloxy-6-pyrrolidin-3-ylpyridine
CID 158248448
13-bromo-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;but-1-ene;13-ethenyl-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;13-(2-hydroxyethyl)-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;1H-quinolin-4-one;2,5,7,9-tetramethyl-13-[2-(1-oxidoquinolin-1-ium-4-yl)oxyethyl]-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;2,5,7,9-tetramethyl-13-(2-quinolin-4-yloxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
CID 159738644
3-Bromo-2,6-bis(phenylmethoxy)pyridine;methyl 2-aminopyridine-3-carboxylate;methyl 2-[[2,6-bis(phenylmethoxy)-3-pyridinyl]methyl]pyridine-3-carboxylate;methyl 2-[(2,6-dioxopiperidin-3-yl)methyl]pyridine-3-carboxylate
CID 160478560
1-[3-bromo-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;1-[3-(5-bromo-1-oxidopyridin-1-ium-3-yl)phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[6-[dicyclopropyl(hydroxy)methyl]-1-oxidopyridin-1-ium-3-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 160554073
lithium;5-bromo-2-phenylmethoxypyridine;butane;tert-butyl 7-[7-[methoxy(methyl)amino]-7-oxoheptyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[7-oxo-7-(6-phenylmethoxy-3-pyridinyl)heptyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 160886387
N-[5-[3-(cyclopropylamino)phenyl]-2-pyridinyl]pyridine-3-carboxamide;N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]-6-methylpyridine-3-carboxamide;N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]pyridine-3-carboxamide
CID 161447683
5-bromo-2-phenylmethoxypyridine;tert-butyl 7-[7-[methoxy(methyl)amino]-7-oxoheptyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[7-oxo-7-(6-phenylmethoxy-3-pyridinyl)heptyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methane
CID 165043999
5-Bromo-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]-5-ethylpyridine-3-carboxylic acid;2-[2-fluoro-4-(3-methoxyphenyl)-5-methylanilino]-5-methylpyridine-3-carboxylic acid
CID 173114679
5-Bromo-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)-5-methylanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]-5-ethylpyridine-3-carboxylic acid;2-[2-fluoro-4-(3-methoxyphenyl)-5-methylanilino]-5-methylpyridine-3-carboxylic acid
CID 173114721

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-bromo-3-pyridinyl)phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-oxo-1H-pyridin-3-yl)phenyl]-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-[3-(5-bromo-3-pyridinyl)phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-oxo-1H-pyridin-3-yl)phenyl]-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide (CID 160524811) is 1-[3-(5-bromo-3-pyridinyl)phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-oxo-1H-pyridin-3-yl)phenyl]-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[3-(5-bromo-3-pyridinyl)phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-oxo-1H-pyridin-3-yl)phenyl]-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[3-(5-bromo-3-pyridinyl)phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-oxo-1H-pyridin-3-yl)phenyl]-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide is Cc1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)c[n+]1[O-].O=C(NC1CC1)c1cn(-c2cccc(-c3ccc(=O)[nH]c3)c2)c2ncccc2c1=O.O=C(NC1CC1)c1cn(-c2cccc(-c3ccc(OCc4ccccc4)nc3)c2)c2ncccc2c1=O.O=C(NC1CC1)c1cn(-c2cccc(-c3cncc(Br)c3)c2)c2ncccc2c1=O.
What is the InChIKey of 1-[3-(5-bromo-3-pyridinyl)phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-oxo-1H-pyridin-3-yl)phenyl]-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is QUTDTHBGFVYHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O3.C24H20N4O3.C23H17BrN4O2.C23H18N4O3/c35-28-25-10-5-15-31-29(25)34(18-26(28)30(36)33-23-12-13-23)24-9-4-8-21(16-24)22-11-14-27(32-17-22)37-19-20-6-2-1-3-7-20;1-15-7-8-17(13-28(15)31)16-4-2-5-19(12-16)27-14-21(24(30)26-18-9-10-18)22(29)20-6-3-11-25-23(20)27;24-16-9-15(11-25-12-16)14-3-1-4-18(10-14)28-13-20(23(30)27-17-6-7-17)21(29)19-5-2-8-26-22(19)28;28-20-9-6-15(12-25-20)14-3-1-4-17(11-14)27-13-19(23(30)26-16-7-8-16)21(29)18-5-2-10-24-22(18)27/h1-11,14-18,23H,12-13,19H2,(H,33,36);2-8,11-14,18H,9-10H2,1H3,(H,26,30);1-5,8-13,17H,6-7H2,(H,27,30);1-6,9-13,16H,7-8H2,(H,25,28)(H,26,30).
What are the key properties of 1-[3-(5-bromo-3-pyridinyl)phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-oxo-1H-pyridin-3-yl)phenyl]-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide?
1-[3-(5-bromo-3-pyridinyl)phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-oxo-1H-pyridin-3-yl)phenyl]-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 1760.74 g/mol, XLogP of 14.54, 19 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-bromo-3-pyridinyl)phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-oxo-1H-pyridin-3-yl)phenyl]-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 160524811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).