N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(1-methylazetidin-3-yl)oxy-3-pyridinyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]benzamide;3-[ethyl(oxan-4-yl)amino]-5-[3-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-methyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]benzamide;3-[ethyl(oxan-4-yl)amino]-5-[6-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2-methyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]benzamide

C139H185FN20O15 — CID 157386955

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(1-methylazetidin-3-yl)oxy-3-pyridinyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]benzamide;3-[ethyl(oxan-4-yl)amino]-5-[3-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-methyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]benzamide;3-[ethyl(oxan-4-yl)amino]-5-[6-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2-methyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]benzamide
SMILESCCN(c1cc(-c2ccc(CN3CCC(O)CC3)c(F)c2)cc(C(=O)NCc2c(C(C)C)cc(C)[nH]c2=O)c1C)C1CCOCC1.CCN(c1cc(-c2ccc(CN3CCC(O)CC3)nc2)cc(C(=O)NCc2c(C(C)C)cc(C)[nH]c2=O)c1C)C1CCOCC1.CCN(c1cc(-c2ccc(N3CCCN(C)CC3)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1.CCN(c1cc(-c2ccc(OC3CN(C)C3)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
InChIInChI=1S/C37H49FN4O4.C36H49N5O4.C34H46N6O3.C32H41N5O4/c1-6-42(29-11-15-46-16-12-29)35-20-28(26-7-8-27(34(38)19-26)22-41-13-9-30(43)10-14-41)18-32(25(35)5)36(44)39-21-33-31(23(2)3)17-24(4)40-37(33)45;1-6-41(29-11-15-45-16-12-29)34-19-27(26-7-8-28(37-20-26)22-40-13-9-30(42)10-14-40)18-32(25(34)5)35(43)38-21-33-31(23(2)3)17-24(4)39-36(33)44;1-6-40(28-10-16-43-17-11-28)31-20-27(26-8-9-32(35-21-26)39-13-7-12-38(5)14-15-39)19-29(25(31)4)33(41)36-22-30-23(2)18-24(3)37-34(30)42;1-6-37(25-9-11-40-12-10-25)29-15-24(23-7-8-30(33-16-23)41-26-18-36(5)19-26)14-27(22(29)4)31(38)34-17-28-20(2)13-21(3)35-32(28)39/h7-8,17-20,23,29-30,43H,6,9-16,21-22H2,1-5H3,(H,39,44)(H,40,45);7-8,17-20,23,29-30,42H,6,9-16,21-22H2,1-5H3,(H,38,43)(H,39,44);8-9,18-21,28H,6-7,10-17,22H2,1-5H3,(H,36,41)(H,37,42);7-8,13-16,25-26H,6,9-12,17-19H2,1-5H3,(H,34,38)(H,35,39)
InChIKeyBLNXHPXCRWZVIW-UHFFFAOYSA-N
MW2395.13 g/mol
LogP19.31
Rot. Bonds37

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(1-methylazetidin-3-yl)oxy-3-pyridinyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]benzamide;3-[ethyl(oxan-4-yl)amino]-5-[3-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-methyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]benzamide;3-[ethyl(oxan-4-yl)amino]-5-[6-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2-methyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]benzamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(1-methylazetidin-3-yl)oxy-3-pyridinyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]benzamide;3-[ethyl(oxan-4-yl)amino]-5-[3-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-methyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]benzamide;3-[ethyl(oxan-4-yl)amino]-5-[6-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2-methyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]benzamide (PubChem CID 157386955) has the molecular formula C139H185FN20O15 and a molecular weight of 2395.13 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(1-methylazetidin-3-yl)oxy-3-pyridinyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]benzamide;3-[ethyl(oxan-4-yl)amino]-5-[3-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-methyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]benzamide;3-[ethyl(oxan-4-yl)amino]-5-[6-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2-methyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(1-methylazetidin-3-yl)oxy-3-pyridinyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]benzamide;3-[ethyl(oxan-4-yl)amino]-5-[3-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-methyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]benzamide;3-[ethyl(oxan-4-yl)amino]-5-[6-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2-methyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]benzamide
PubChem CID157386955
Molecular FormulaC139H185FN20O15
Molecular Weight2395.13 g/mol
Exact Mass2393.43
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(1-methylazetidin-3-yl)oxy-3-pyridinyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]benzamide;3-[ethyl(oxan-4-yl)amino]-5-[3-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-methyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]benzamide;3-[ethyl(oxan-4-yl)amino]-5-[6-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2-methyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]benzamide
SMILESCCN(c1cc(-c2ccc(CN3CCC(O)CC3)c(F)c2)cc(C(=O)NCc2c(C(C)C)cc(C)[nH]c2=O)c1C)C1CCOCC1.CCN(c1cc(-c2ccc(CN3CCC(O)CC3)nc2)cc(C(=O)NCc2c(C(C)C)cc(C)[nH]c2=O)c1C)C1CCOCC1.CCN(c1cc(-c2ccc(N3CCCN(C)CC3)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1.CCN(c1cc(-c2ccc(OC3CN(C)C3)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
InChIInChI=1S/C37H49FN4O4.C36H49N5O4.C34H46N6O3.C32H41N5O4/c1-6-42(29-11-15-46-16-12-29)35-20-28(26-7-8-27(34(38)19-26)22-41-13-9-30(43)10-14-41)18-32(25(35)5)36(44)39-21-33-31(23(2)3)17-24(4)40-37(33)45;1-6-41(29-11-15-45-16-12-29)34-19-27(26-7-8-28(37-20-26)22-40-13-9-30(42)10-14-40)18-32(25(34)5)35(43)38-21-33-31(23(2)3)17-24(4)39-36(33)44;1-6-40(28-10-16-43-17-11-28)31-20-27(26-8-9-32(35-21-26)39-13-7-12-38(5)14-15-39)19-29(25(31)4)33(41)36-22-30-23(2)18-24(3)37-34(30)42;1-6-37(25-9-11-40-12-10-25)29-15-24(23-7-8-30(33-16-23)41-26-18-36(5)19-26)14-27(22(29)4)31(38)34-17-28-20(2)13-21(3)35-32(28)39/h7-8,17-20,23,29-30,43H,6,9-16,21-22H2,1-5H3,(H,39,44)(H,40,45);7-8,17-20,23,29-30,42H,6,9-16,21-22H2,1-5H3,(H,38,43)(H,39,44);8-9,18-21,28H,6-7,10-17,22H2,1-5H3,(H,36,41)(H,37,42);7-8,13-16,25-26H,6,9-12,17-19H2,1-5H3,(H,34,38)(H,35,39)
InChIKeyBLNXHPXCRWZVIW-UHFFFAOYSA-N
XLogP19.31
TPSA402.28 Ų
H-Bond Donors10
H-Bond Acceptors27
Rotatable Bonds37
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002395.13
LogP ≤ 519.31
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1027

Analyze N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(1-methylazetidin-3-yl)oxy-3-pyridinyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]benzamide;3-[ethyl(oxan-4-yl)amino]-5-[3-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-methyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]benzamide;3-[ethyl(oxan-4-yl)amino]-5-[6-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2-methyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

6-(dimethylamino)-N-[2-methyl-5-[4-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide
CID 87728291
cumene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)-1,4-diazepane;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-propan-2-ylbenzene;1-(2-methoxyethoxy)-4-propan-2-yl-2-(trifluoromethyl)benzene;1-methoxy-2-propan-2-ylbenzene;4-methoxy-2-propan-2-ylpyridine;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-2-propan-2-ylbenzene;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;2-propan-2-ylazetidine;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;2-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 157438131
N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 157591436
(2S,6R)-4-[5-[4-(azetidin-1-yl)-8-(4-isocyanophenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5-fluoro-4-methoxyquinolin-8-yl]benzonitrile;3-[6-[(3S,5R)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-3-pyridinyl]-8-(4-isocyanophenyl)-1H-quinolin-4-one;(2S,6R)-4-[4-[4-ethoxy-8-(4-isocyanophenyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[5-(4-isocyanophenyl)-4-methoxyquinolin-2-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine
CID 157957835
2-cyclopropyl-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 158505710
N-[5-[6-(4-deuteriooxan-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;3-(1,1-difluoro-2-hydroxyethyl)-N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]benzamide;2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide
CID 158776131
2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[3-fluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-[(2R)-1-hydroxypropan-2-yl]oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone
CID 159467237
N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-(4-fluorooxan-4-yl)-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(4-hydroxypiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(4-hydroxypiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 159702516
CID 159867515
CID 159867515
N-(2-aminoethyl)-2-[(2R)-4-[2-[4-(aminomethyl)phenyl]-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-5-(2-ethoxy-3-pyridinyl)benzamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide
CID 159982541
5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-N-methyl-3-morpholin-4-ylpyridine-2-carboxamide;N-[5-[6-(difluoromethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(1,1-difluoropropyl)pyridine-4-carboxamide;N-[5-[6-[2-hydroxyethyl(methyl)amino]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-[(2S)-1-hydroxypropan-2-yl]oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 160034193
N-(2-aminoethyl)-2-[(2R)-4-[2-[4-(aminomethyl)phenyl]-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-5-(2-ethoxyphenyl)benzamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide
CID 160056513

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(1-methylazetidin-3-yl)oxy-3-pyridinyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]benzamide;3-[ethyl(oxan-4-yl)amino]-5-[3-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-methyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]benzamide;3-[ethyl(oxan-4-yl)amino]-5-[6-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2-methyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]benzamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(1-methylazetidin-3-yl)oxy-3-pyridinyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]benzamide;3-[ethyl(oxan-4-yl)amino]-5-[3-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-methyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]benzamide;3-[ethyl(oxan-4-yl)amino]-5-[6-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2-methyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]benzamide (CID 157386955) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(1-methylazetidin-3-yl)oxy-3-pyridinyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]benzamide;3-[ethyl(oxan-4-yl)amino]-5-[3-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-methyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]benzamide;3-[ethyl(oxan-4-yl)amino]-5-[6-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2-methyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]benzamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(1-methylazetidin-3-yl)oxy-3-pyridinyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]benzamide;3-[ethyl(oxan-4-yl)amino]-5-[3-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-methyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]benzamide;3-[ethyl(oxan-4-yl)amino]-5-[6-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2-methyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]benzamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(1-methylazetidin-3-yl)oxy-3-pyridinyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]benzamide;3-[ethyl(oxan-4-yl)amino]-5-[3-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-methyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]benzamide;3-[ethyl(oxan-4-yl)amino]-5-[6-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2-methyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]benzamide is CCN(c1cc(-c2ccc(CN3CCC(O)CC3)c(F)c2)cc(C(=O)NCc2c(C(C)C)cc(C)[nH]c2=O)c1C)C1CCOCC1.CCN(c1cc(-c2ccc(CN3CCC(O)CC3)nc2)cc(C(=O)NCc2c(C(C)C)cc(C)[nH]c2=O)c1C)C1CCOCC1.CCN(c1cc(-c2ccc(N3CCCN(C)CC3)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1.CCN(c1cc(-c2ccc(OC3CN(C)C3)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(1-methylazetidin-3-yl)oxy-3-pyridinyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]benzamide;3-[ethyl(oxan-4-yl)amino]-5-[3-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-methyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]benzamide;3-[ethyl(oxan-4-yl)amino]-5-[6-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2-methyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]benzamide?
The InChIKey is BLNXHPXCRWZVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H49FN4O4.C36H49N5O4.C34H46N6O3.C32H41N5O4/c1-6-42(29-11-15-46-16-12-29)35-20-28(26-7-8-27(34(38)19-26)22-41-13-9-30(43)10-14-41)18-32(25(35)5)36(44)39-21-33-31(23(2)3)17-24(4)40-37(33)45;1-6-41(29-11-15-45-16-12-29)34-19-27(26-7-8-28(37-20-26)22-40-13-9-30(42)10-14-40)18-32(25(34)5)35(43)38-21-33-31(23(2)3)17-24(4)39-36(33)44;1-6-40(28-10-16-43-17-11-28)31-20-27(26-8-9-32(35-21-26)39-13-7-12-38(5)14-15-39)19-29(25(31)4)33(41)36-22-30-23(2)18-24(3)37-34(30)42;1-6-37(25-9-11-40-12-10-25)29-15-24(23-7-8-30(33-16-23)41-26-18-36(5)19-26)14-27(22(29)4)31(38)34-17-28-20(2)13-21(3)35-32(28)39/h7-8,17-20,23,29-30,43H,6,9-16,21-22H2,1-5H3,(H,39,44)(H,40,45);7-8,17-20,23,29-30,42H,6,9-16,21-22H2,1-5H3,(H,38,43)(H,39,44);8-9,18-21,28H,6-7,10-17,22H2,1-5H3,(H,36,41)(H,37,42);7-8,13-16,25-26H,6,9-12,17-19H2,1-5H3,(H,34,38)(H,35,39).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(1-methylazetidin-3-yl)oxy-3-pyridinyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]benzamide;3-[ethyl(oxan-4-yl)amino]-5-[3-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-methyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]benzamide;3-[ethyl(oxan-4-yl)amino]-5-[6-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2-methyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]benzamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(1-methylazetidin-3-yl)oxy-3-pyridinyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]benzamide;3-[ethyl(oxan-4-yl)amino]-5-[3-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-methyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]benzamide;3-[ethyl(oxan-4-yl)amino]-5-[6-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2-methyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]benzamide has a molecular weight of 2395.13 g/mol, XLogP of 19.31, 37 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(1-methylazetidin-3-yl)oxy-3-pyridinyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]benzamide;3-[ethyl(oxan-4-yl)amino]-5-[3-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-methyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]benzamide;3-[ethyl(oxan-4-yl)amino]-5-[6-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2-methyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]benzamide is sourced from PubChem (CID 157386955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).