4-tert-butyl-N-[5-[5-methyl-2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-[2-[2-(dimethylamino)ethyl-methylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[6-[2-(methylamino)ethoxy]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide

C120H142N30O12 — CID 157215630

IUPAC4-tert-butyl-N-[5-[5-methyl-2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-[2-[2-(dimethylamino)ethyl-methylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[6-[2-(methylamino)ethoxy]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
SMILESCN(C)CCN(C)c1nccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)n1.CNCCNc1nccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)n1.CNCCOc1cccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)n1.CNc1ncc(C)c(-c2c[nH]c(=O)c(NC(=O)c3ccc(C(C)(C)C)cc3)c2)n1.O=C(Nc1cc(-c2ccnc(NCCO)n2)c[nH]c1=O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C26H33N7O2.C25H29N5O3.C24H29N7O2.C23H26N6O3.C22H25N5O2/c1-31(2)15-16-32(3)26-27-12-11-22(30-26)20-17-23(25(35)28-18-20)29-24(34)19-7-9-21(10-8-19)33-13-5-4-6-14-33;1-26-12-15-33-23-7-5-6-21(28-23)19-16-22(25(32)27-17-19)29-24(31)18-8-10-20(11-9-18)30-13-3-2-4-14-30;1-25-11-12-27-24-26-10-9-20(30-24)18-15-21(23(33)28-16-18)29-22(32)17-5-7-19(8-6-17)31-13-3-2-4-14-31;30-13-10-25-23-24-9-8-19(28-23)17-14-20(22(32)26-15-17)27-21(31)16-4-6-18(7-5-16)29-11-2-1-3-12-29;1-13-11-25-21(23-5)27-18(13)15-10-17(20(29)24-12-15)26-19(28)14-6-8-16(9-7-14)22(2,3)4/h7-12,17-18H,4-6,13-16H2,1-3H3,(H,28,35)(H,29,34);5-11,16-17,26H,2-4,12-15H2,1H3,(H,27,32)(H,29,31);5-10,15-16,25H,2-4,11-14H2,1H3,(H,28,33)(H,29,32)(H,26,27,30);4-9,14-15,30H,1-3,10-13H2,(H,26,32)(H,27,31)(H,24,25,28);6-12H,1-5H3,(H,24,29)(H,26,28)(H,23,25,27)
InChIKeyASJOUTMOWWGPIN-UHFFFAOYSA-N
MW2196.65 g/mol
LogP15.27
Rot. Bonds35

About 4-tert-butyl-N-[5-[5-methyl-2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-[2-[2-(dimethylamino)ethyl-methylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[6-[2-(methylamino)ethoxy]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide

4-tert-butyl-N-[5-[5-methyl-2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-[2-[2-(dimethylamino)ethyl-methylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[6-[2-(methylamino)ethoxy]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide (PubChem CID 157215630) has the molecular formula C120H142N30O12 and a molecular weight of 2196.65 g/mol. Its IUPAC name is 4-tert-butyl-N-[5-[5-methyl-2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-[2-[2-(dimethylamino)ethyl-methylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[6-[2-(methylamino)ethoxy]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[5-[5-methyl-2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-[2-[2-(dimethylamino)ethyl-methylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[6-[2-(methylamino)ethoxy]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
PubChem CID157215630
Molecular FormulaC120H142N30O12
Molecular Weight2196.65 g/mol
Exact Mass2195.14
IUPAC Name4-tert-butyl-N-[5-[5-methyl-2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-[2-[2-(dimethylamino)ethyl-methylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[6-[2-(methylamino)ethoxy]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
SMILESCN(C)CCN(C)c1nccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)n1.CNCCNc1nccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)n1.CNCCOc1cccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)n1.CNc1ncc(C)c(-c2c[nH]c(=O)c(NC(=O)c3ccc(C(C)(C)C)cc3)c2)n1.O=C(Nc1cc(-c2ccnc(NCCO)n2)c[nH]c1=O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C26H33N7O2.C25H29N5O3.C24H29N7O2.C23H26N6O3.C22H25N5O2/c1-31(2)15-16-32(3)26-27-12-11-22(30-26)20-17-23(25(35)28-18-20)29-24(34)19-7-9-21(10-8-19)33-13-5-4-6-14-33;1-26-12-15-33-23-7-5-6-21(28-23)19-16-22(25(32)27-17-19)29-24(31)18-8-10-20(11-9-18)30-13-3-2-4-14-30;1-25-11-12-27-24-26-10-9-20(30-24)18-15-21(23(33)28-16-18)29-22(32)17-5-7-19(8-6-17)31-13-3-2-4-14-31;30-13-10-25-23-24-9-8-19(28-23)17-14-20(22(32)26-15-17)27-21(31)16-4-6-18(7-5-16)29-11-2-1-3-12-29;1-13-11-25-21(23-5)27-18(13)15-10-17(20(29)24-12-15)26-19(28)14-6-8-16(9-7-14)22(2,3)4/h7-12,17-18H,4-6,13-16H2,1-3H3,(H,28,35)(H,29,34);5-11,16-17,26H,2-4,12-15H2,1H3,(H,27,32)(H,29,31);5-10,15-16,25H,2-4,11-14H2,1H3,(H,28,33)(H,29,32)(H,26,27,30);4-9,14-15,30H,1-3,10-13H2,(H,26,32)(H,27,31)(H,24,25,28);6-12H,1-5H3,(H,24,29)(H,26,28)(H,23,25,27)
InChIKeyASJOUTMOWWGPIN-UHFFFAOYSA-N
XLogP15.27
TPSA534.86 Ų
H-Bond Donors16
H-Bond Acceptors32
Rotatable Bonds35
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002196.65
LogP ≤ 515.27
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-N-[5-[5-methyl-2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-[2-[2-(dimethylamino)ethyl-methylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[6-[2-(methylamino)ethoxy]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide with MolForge

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Related Compounds

US20240025922, Example 39
CID 170324108
2-fluoro-N-[1-[2-[4-fluoro-5-[[5-[5-(hydroxymethyl)-2-pyridinyl]-2-phenyl-3-pyridinyl]carbamoyl]-2-(trifluoromethyl)phenyl]pyrimidin-5-yl]-2-phenyl-5-pyridin-2-yloxypyridin-1-ium-3-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
CID 123927950
3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2,4-difluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-ethyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;N-[4-[2-[3-(4-acetylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide
CID 157241863
2-[20,20-dimethyl-16-methylidene-23-oxo-5-(2,2,2-trifluoroethoxy)-14-oxa-4,6,8,18,22,31-hexazatetracyclo[22.2.2.210,13.13,7]hentriaconta-1(26),3(31),4,6,10(30),11,13(29),24,27-nonaen-18-yl]-N-(4-fluorophenyl)-2-oxoacetamide;2-[20,20-dimethyl-23-oxo-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,18,22-hexazatetracyclo[22.2.2.210,13.13,7]hentriaconta-1(26),3,5,7(31),10(30),11,13(29),24,27-nonaen-18-yl]-2-oxoacetic acid;methyl 2-[2-(2-methoxy-2-oxoacetyl)-20,20-dimethyl-23-oxo-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,18,22,26-heptazatetracyclo[22.2.2.210,13.13,7]hentriaconta-1(26),3,5,7(31),10(30),11,13(29),24,27-nonaen-18-yl]-2-oxoacetate
CID 157291416
6-[[1-(cyclobutanecarbonyl)piperidin-4-yl]methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[1-(2,2-dimethylpropanoyl)azetidin-3-yl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-fluoro-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(methylamino)ethoxy]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(1-propan-2-ylazetidin-3-yl)methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(2,2,2-trifluoroethylamino)ethoxy]pyridine-4-carboxamide
CID 157378759
[6-[(3-amino-2,2-dimethylpropyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(2-hydroxyethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(trifluoromethyl)-6-[(2S)-2,3,3-trimethylbutoxy]-2-pyridinyl]methanone;molecular hydrogen
CID 157695374
2-(2-cyanopropan-2-yl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-(5-ethoxy-6-morpholin-4-yl-2-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-[(2S)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 158114370
N-cyclohexyl-N,3-dimethylbutanamide;bis(N-cyclohexyl-3-methylbutanamide);5-(2,3-dimethylbutyl)-2-methylpyridine;N,3-dimethyl-N-(3-methylbutyl)butanamide;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;(4-fluorophenyl) 3-methylbutanoate;1-(4-fluorophenyl)-3-methylbutan-1-one;3-methylbutyl 3-methylbutanoate;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;methyl 3-methylbutanoate;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;3-methyl-1-phenylbutan-1-one;2-methyl-5-(2,2,3-trimethylbutyl)pyridine
CID 158164934
[6-[(2S)-2-amino-3,3-dimethylbutoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(3-amino-2,2-dimethylpropyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(2-hydroxyethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 158884350
6-(2-hydroxyethylamino)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxypropylamino)-5-(6-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxypropylamino)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxypropylamino)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxypropylamino)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[3-hydroxypropyl(methyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[3-hydroxypropyl(methyl)amino]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 158977972
2-[[4-[[2-[4-Methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-(pyridine-3-carbonyloxy)phenyl]methyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-(4-pyridin-3-ylbenzoyl)oxyphenyl]methyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-(4-pyridin-4-ylbenzoyl)oxyphenyl]methyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-(4-pyrimidin-5-ylbenzoyl)oxyphenyl]methyl]amino]acetic acid
CID 159038754
CID 159683687
CID 159683687

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[5-[5-methyl-2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-[2-[2-(dimethylamino)ethyl-methylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[6-[2-(methylamino)ethoxy]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?
The IUPAC name of 4-tert-butyl-N-[5-[5-methyl-2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-[2-[2-(dimethylamino)ethyl-methylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[6-[2-(methylamino)ethoxy]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide (CID 157215630) is 4-tert-butyl-N-[5-[5-methyl-2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-[2-[2-(dimethylamino)ethyl-methylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[6-[2-(methylamino)ethoxy]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for 4-tert-butyl-N-[5-[5-methyl-2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-[2-[2-(dimethylamino)ethyl-methylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[6-[2-(methylamino)ethoxy]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?
The canonical SMILES for 4-tert-butyl-N-[5-[5-methyl-2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-[2-[2-(dimethylamino)ethyl-methylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[6-[2-(methylamino)ethoxy]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide is CN(C)CCN(C)c1nccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)n1.CNCCNc1nccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)n1.CNCCOc1cccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)n1.CNc1ncc(C)c(-c2c[nH]c(=O)c(NC(=O)c3ccc(C(C)(C)C)cc3)c2)n1.O=C(Nc1cc(-c2ccnc(NCCO)n2)c[nH]c1=O)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[5-[5-methyl-2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-[2-[2-(dimethylamino)ethyl-methylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[6-[2-(methylamino)ethoxy]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?
The InChIKey is ASJOUTMOWWGPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O2.C25H29N5O3.C24H29N7O2.C23H26N6O3.C22H25N5O2/c1-31(2)15-16-32(3)26-27-12-11-22(30-26)20-17-23(25(35)28-18-20)29-24(34)19-7-9-21(10-8-19)33-13-5-4-6-14-33;1-26-12-15-33-23-7-5-6-21(28-23)19-16-22(25(32)27-17-19)29-24(31)18-8-10-20(11-9-18)30-13-3-2-4-14-30;1-25-11-12-27-24-26-10-9-20(30-24)18-15-21(23(33)28-16-18)29-22(32)17-5-7-19(8-6-17)31-13-3-2-4-14-31;30-13-10-25-23-24-9-8-19(28-23)17-14-20(22(32)26-15-17)27-21(31)16-4-6-18(7-5-16)29-11-2-1-3-12-29;1-13-11-25-21(23-5)27-18(13)15-10-17(20(29)24-12-15)26-19(28)14-6-8-16(9-7-14)22(2,3)4/h7-12,17-18H,4-6,13-16H2,1-3H3,(H,28,35)(H,29,34);5-11,16-17,26H,2-4,12-15H2,1H3,(H,27,32)(H,29,31);5-10,15-16,25H,2-4,11-14H2,1H3,(H,28,33)(H,29,32)(H,26,27,30);4-9,14-15,30H,1-3,10-13H2,(H,26,32)(H,27,31)(H,24,25,28);6-12H,1-5H3,(H,24,29)(H,26,28)(H,23,25,27).
What are the key properties of 4-tert-butyl-N-[5-[5-methyl-2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-[2-[2-(dimethylamino)ethyl-methylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[6-[2-(methylamino)ethoxy]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?
4-tert-butyl-N-[5-[5-methyl-2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-[2-[2-(dimethylamino)ethyl-methylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[6-[2-(methylamino)ethoxy]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide has a molecular weight of 2196.65 g/mol, XLogP of 15.27, 35 rotatable bonds, 16 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[5-[5-methyl-2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-[2-[2-(dimethylamino)ethyl-methylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[6-[2-(methylamino)ethoxy]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 157215630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).