3-[5-(2,6-dimethylphenyl)-6-methyl-3-pyridinyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid;(2S)-N-[(1R)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2R)-4-methyl-N-[(1S)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2R)-4-methyl-N-[(1S)-1-[3-[(2S)-2-methylpyrrolidin-1-yl]phenyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;(3S)-3-[3-(2-methylphenyl)phenyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid

C131H153F6N15O18 — CID 159761819

IUPAC3-[5-(2,6-dimethylphenyl)-6-methyl-3-pyridinyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid;(2S)-N-[(1R)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2R)-4-methyl-N-[(1S)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2R)-4-methyl-N-[(1S)-1-[3-[(2S)-2-methylpyrrolidin-1-yl]phenyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;(3S)-3-[3-(2-methylphenyl)phenyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid
SMILESCC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)n1ccc(C)cc1=O)c1cncc(-c2c(C)cccc2C)c1.CC(=O)C[C@H](NC(=O)[C@@H](CC(C)C)n1ccc(C)cc1=O)c1cnc(C)c(N2CCOC[C@@H]2C)c1.CC(=O)C[C@H](NC(=O)[C@@H](CC(C)C)n1ccccc1=O)c1cccc(N2CCC[C@@H]2C)c1.Cc1cccc(C)c1-c1cc(C(CC(=O)O)NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cnc1C.Cc1ccccc1-c1cccc([C@H](CC(=O)O)NC(=O)Cn2cc(C(F)(F)F)ccc2=O)c1
InChIInChI=1S/C29H35N3O3.C27H38N4O4.C26H35N3O3.C25H24F3N3O4.C24H21F3N2O4/c1-18(2)12-26(32-11-10-19(3)13-27(32)34)29(35)31-25(14-22(6)33)23-15-24(17-30-16-23)28-20(4)8-7-9-21(28)5;1-17(2)11-25(31-8-7-18(3)12-26(31)33)27(34)29-23(13-20(5)32)22-14-24(21(6)28-15-22)30-9-10-35-16-19(30)4;1-18(2)15-24(29-13-6-5-12-25(29)31)26(32)27-23(16-20(4)30)21-10-7-11-22(17-21)28-14-8-9-19(28)3;1-14-5-4-6-15(2)24(14)19-9-17(11-29-16(19)3)20(10-23(34)35)30-21(32)13-31-12-18(25(26,27)28)7-8-22(31)33;1-15-5-2-3-8-19(15)16-6-4-7-17(11-16)20(12-23(32)33)28-21(30)14-29-13-18(24(25,26)27)9-10-22(29)31/h7-11,13,15-18,25-26H,12,14H2,1-6H3,(H,31,35);7-8,12,14-15,17,19,23,25H,9-11,13,16H2,1-6H3,(H,29,34);5-7,10-13,17-19,23-24H,8-9,14-16H2,1-4H3,(H,27,32);4-9,11-12,20H,10,13H2,1-3H3,(H,30,32)(H,34,35);2-11,13,20H,12,14H2,1H3,(H,28,30)(H,32,33)/t25-,26+;19-,23-,25+;19-,23-,24+;;20-/m100.0/s1
InChIKeyNEZJJIMGJIITJJ-UMQIHZIFSA-N
MW2339.74 g/mol
LogP21.39
Rot. Bonds41

About 3-[5-(2,6-dimethylphenyl)-6-methyl-3-pyridinyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid;(2S)-N-[(1R)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2R)-4-methyl-N-[(1S)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2R)-4-methyl-N-[(1S)-1-[3-[(2S)-2-methylpyrrolidin-1-yl]phenyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;(3S)-3-[3-(2-methylphenyl)phenyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid

3-[5-(2,6-dimethylphenyl)-6-methyl-3-pyridinyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid;(2S)-N-[(1R)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2R)-4-methyl-N-[(1S)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2R)-4-methyl-N-[(1S)-1-[3-[(2S)-2-methylpyrrolidin-1-yl]phenyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;(3S)-3-[3-(2-methylphenyl)phenyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid (PubChem CID 159761819) has the molecular formula C131H153F6N15O18 and a molecular weight of 2339.74 g/mol. Its IUPAC name is 3-[5-(2,6-dimethylphenyl)-6-methyl-3-pyridinyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid;(2S)-N-[(1R)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2R)-4-methyl-N-[(1S)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2R)-4-methyl-N-[(1S)-1-[3-[(2S)-2-methylpyrrolidin-1-yl]phenyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;(3S)-3-[3-(2-methylphenyl)phenyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[5-(2,6-dimethylphenyl)-6-methyl-3-pyridinyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid;(2S)-N-[(1R)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2R)-4-methyl-N-[(1S)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2R)-4-methyl-N-[(1S)-1-[3-[(2S)-2-methylpyrrolidin-1-yl]phenyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;(3S)-3-[3-(2-methylphenyl)phenyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid
PubChem CID159761819
Molecular FormulaC131H153F6N15O18
Molecular Weight2339.74 g/mol
Exact Mass2338.14
IUPAC Name3-[5-(2,6-dimethylphenyl)-6-methyl-3-pyridinyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid;(2S)-N-[(1R)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2R)-4-methyl-N-[(1S)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2R)-4-methyl-N-[(1S)-1-[3-[(2S)-2-methylpyrrolidin-1-yl]phenyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;(3S)-3-[3-(2-methylphenyl)phenyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid
SMILESCC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)n1ccc(C)cc1=O)c1cncc(-c2c(C)cccc2C)c1.CC(=O)C[C@H](NC(=O)[C@@H](CC(C)C)n1ccc(C)cc1=O)c1cnc(C)c(N2CCOC[C@@H]2C)c1.CC(=O)C[C@H](NC(=O)[C@@H](CC(C)C)n1ccccc1=O)c1cccc(N2CCC[C@@H]2C)c1.Cc1cccc(C)c1-c1cc(C(CC(=O)O)NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cnc1C.Cc1ccccc1-c1cccc([C@H](CC(=O)O)NC(=O)Cn2cc(C(F)(F)F)ccc2=O)c1
InChIInChI=1S/C29H35N3O3.C27H38N4O4.C26H35N3O3.C25H24F3N3O4.C24H21F3N2O4/c1-18(2)12-26(32-11-10-19(3)13-27(32)34)29(35)31-25(14-22(6)33)23-15-24(17-30-16-23)28-20(4)8-7-9-21(28)5;1-17(2)11-25(31-8-7-18(3)12-26(31)33)27(34)29-23(13-20(5)32)22-14-24(21(6)28-15-22)30-9-10-35-16-19(30)4;1-18(2)15-24(29-13-6-5-12-25(29)31)26(32)27-23(16-20(4)30)21-10-7-11-22(17-21)28-14-8-9-19(28)3;1-14-5-4-6-15(2)24(14)19-9-17(11-29-16(19)3)20(10-23(34)35)30-21(32)13-31-12-18(25(26,27)28)7-8-22(31)33;1-15-5-2-3-8-19(15)16-6-4-7-17(11-16)20(12-23(32)33)28-21(30)14-29-13-18(24(25,26)27)9-10-22(29)31/h7-11,13,15-18,25-26H,12,14H2,1-6H3,(H,31,35);7-8,12,14-15,17,19,23,25H,9-11,13,16H2,1-6H3,(H,29,34);5-7,10-13,17-19,23-24H,8-9,14-16H2,1-4H3,(H,27,32);4-9,11-12,20H,10,13H2,1-3H3,(H,30,32)(H,34,35);2-11,13,20H,12,14H2,1H3,(H,28,30)(H,32,33)/t25-,26+;19-,23-,25+;19-,23-,24+;;20-/m100.0/s1
InChIKeyNEZJJIMGJIITJJ-UMQIHZIFSA-N
XLogP21.39
TPSA435.69 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds41
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002339.74
LogP ≤ 521.39
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Analyze 3-[5-(2,6-dimethylphenyl)-6-methyl-3-pyridinyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid;(2S)-N-[(1R)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2R)-4-methyl-N-[(1S)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2R)-4-methyl-N-[(1S)-1-[3-[(2S)-2-methylpyrrolidin-1-yl]phenyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;(3S)-3-[3-(2-methylphenyl)phenyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[[2-fluoro-6-[(4-methylpiperazin-1-yl)methyl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[1-[1-methyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]isoquinolin-5-yl]propanoic acid
CID 170588353
(3S)-3-[[(2S)-5-[(3S)-3-[5-(2,2-dimethylmorpholin-4-yl)pyridin-3-yl]-3-[[(2R)-4-methyl-2-(4-methyl-2-oxopyridin-1-yl)pentanoyl]amino]propanoyl]oxy-4-methyl-2-[(4S)-2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanoyl]amino]-3-[5-(2,6-dimethylphenyl)pyridin-3-yl]propanoic acid
CID 146182760
(3S)-3-[[(2R)-5-[(3S)-3-[[(2R)-5-[3-[3-[(1S)-2-carboxy-1-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]phenyl]-4-methylphenyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]-3-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]propanoyl]oxy-4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]-3-[3-[(2S)-2-methylpyrrolidin-1-yl]phenyl]propanoic acid
CID 146182993
(3S)-3-[[(2S)-2-[5-[2-[2-[2-[2-[1-[(2S)-1-[[(1S)-2-carboxy-1-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-6-oxo-3-pyridinyl]ethylamino]ethoxy]ethyl-methylamino]ethyl]-2-oxo-1-pyridinyl]butanoyl]amino]-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoic acid
CID 146183000
(3S)-3-[5-[3-[1-[1-[[(1S)-2-carboxy-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-2-oxo-4-pyridinyl]-2,6-dimethylphenyl]-3-pyridinyl]-3-[[2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]propanoic acid
CID 146183494
(3S)-3-[[(2S)-2-[4-[[3-[5-[(1S)-2-carboxy-1-[[(2R)-4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanoyl]amino]ethyl]-3-pyridinyl]-2,4-dimethylphenyl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]propanoic acid
CID 146183502
(3S)-3-[[(2R)-2-[4-[[3-[5-[(1S)-2-carboxy-1-[[(2S)-2-[4-[3-[3-[(1S)-2-carboxy-1-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]ethyl]phenyl]-2-methylphenyl]-5-methyl-2-oxopiperidin-1-yl]-2-(3,4-difluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2,4-dimethylphenyl]methyl]-2-oxo-1-pyridinyl]-3-methoxypropanoyl]amino]-3-[3-(2,6-dimethylphenyl)phenyl]propanoic acid
CID 155374632
(3S)-3-[[2-[4-[4-[5-[(1S)-2-carboxy-1-[[(2S)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]ethyl]-3-pyridinyl]-3,5-dimethyl-2-pyridinyl]-2-oxopiperidin-1-yl]-4-methylpentanoyl]amino]-3-[5-(2-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 155374640
(3S)-3-[2-[3-[4-[(1S)-2-[[(1S)-2-carboxy-1-[5-[3-[[1-[(2S)-1-[[(1S)-2-carboxy-1-[3-(2,6-dimethylphenyl)phenyl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-6-oxo-3-pyridinyl]-(3-fluoroazetidin-1-yl)methyl]-2,6-dimethylphenyl]-3-pyridinyl]ethyl]amino]-1-(5-methyl-2-oxopiperidin-1-yl)-2-oxoethyl]phenyl]-2,6-dimethylphenyl]-4-pyridinyl]-3-[[(2S)-4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid
CID 156286430
N-[3-[(4aR,5R)-5-(hydroxymethyl)-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[(4aS,5R)-5-(hydroxymethyl)-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[(4aR,5S)-5-(hydroxymethyl)-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[(4aS,5S)-5-(hydroxymethyl)-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(hydroxymethyl)-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[5-(hydroxymethyl)-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 157238667
(3S)-3-[3-(2,5-dimethyl-6-methylidene-1H-pyridin-3-yl)phenyl]-3-[[(2R)-4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;(3S)-3-[5-(2,4-dimethyl-3-pyridinyl)-3-pyridinyl]-3-[[4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]-3-[5-(2-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 157519916
tert-butyl 3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-methylcarbamoyl]piperidine-1-carboxylate;2-[5-(diethylamino)-2-[[3-[3-[2-[2-[2-[3-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl-methylcarbamoyl]piperidin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propyl]benzoyl]amino]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[2-[2-[2-[3-[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]propoxy]ethoxy]ethoxy]ethoxy]propanoic acid;1-[2-(2-ethoxyethoxy)ethoxy]-2-methoxyethane;N-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methylpiperidine-3-carboxamide;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 157609826

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-dimethylphenyl)-6-methyl-3-pyridinyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid;(2S)-N-[(1R)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2R)-4-methyl-N-[(1S)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2R)-4-methyl-N-[(1S)-1-[3-[(2S)-2-methylpyrrolidin-1-yl]phenyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;(3S)-3-[3-(2-methylphenyl)phenyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid?
The IUPAC name of 3-[5-(2,6-dimethylphenyl)-6-methyl-3-pyridinyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid;(2S)-N-[(1R)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2R)-4-methyl-N-[(1S)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2R)-4-methyl-N-[(1S)-1-[3-[(2S)-2-methylpyrrolidin-1-yl]phenyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;(3S)-3-[3-(2-methylphenyl)phenyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid (CID 159761819) is 3-[5-(2,6-dimethylphenyl)-6-methyl-3-pyridinyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid;(2S)-N-[(1R)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2R)-4-methyl-N-[(1S)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2R)-4-methyl-N-[(1S)-1-[3-[(2S)-2-methylpyrrolidin-1-yl]phenyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;(3S)-3-[3-(2-methylphenyl)phenyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[5-(2,6-dimethylphenyl)-6-methyl-3-pyridinyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid;(2S)-N-[(1R)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2R)-4-methyl-N-[(1S)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2R)-4-methyl-N-[(1S)-1-[3-[(2S)-2-methylpyrrolidin-1-yl]phenyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;(3S)-3-[3-(2-methylphenyl)phenyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid?
The canonical SMILES for 3-[5-(2,6-dimethylphenyl)-6-methyl-3-pyridinyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid;(2S)-N-[(1R)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2R)-4-methyl-N-[(1S)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2R)-4-methyl-N-[(1S)-1-[3-[(2S)-2-methylpyrrolidin-1-yl]phenyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;(3S)-3-[3-(2-methylphenyl)phenyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid is CC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)n1ccc(C)cc1=O)c1cncc(-c2c(C)cccc2C)c1.CC(=O)C[C@H](NC(=O)[C@@H](CC(C)C)n1ccc(C)cc1=O)c1cnc(C)c(N2CCOC[C@@H]2C)c1.CC(=O)C[C@H](NC(=O)[C@@H](CC(C)C)n1ccccc1=O)c1cccc(N2CCC[C@@H]2C)c1.Cc1cccc(C)c1-c1cc(C(CC(=O)O)NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cnc1C.Cc1ccccc1-c1cccc([C@H](CC(=O)O)NC(=O)Cn2cc(C(F)(F)F)ccc2=O)c1.
What is the InChIKey of 3-[5-(2,6-dimethylphenyl)-6-methyl-3-pyridinyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid;(2S)-N-[(1R)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2R)-4-methyl-N-[(1S)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2R)-4-methyl-N-[(1S)-1-[3-[(2S)-2-methylpyrrolidin-1-yl]phenyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;(3S)-3-[3-(2-methylphenyl)phenyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid?
The InChIKey is NEZJJIMGJIITJJ-UMQIHZIFSA-N. The full InChI is InChI=1S/C29H35N3O3.C27H38N4O4.C26H35N3O3.C25H24F3N3O4.C24H21F3N2O4/c1-18(2)12-26(32-11-10-19(3)13-27(32)34)29(35)31-25(14-22(6)33)23-15-24(17-30-16-23)28-20(4)8-7-9-21(28)5;1-17(2)11-25(31-8-7-18(3)12-26(31)33)27(34)29-23(13-20(5)32)22-14-24(21(6)28-15-22)30-9-10-35-16-19(30)4;1-18(2)15-24(29-13-6-5-12-25(29)31)26(32)27-23(16-20(4)30)21-10-7-11-22(17-21)28-14-8-9-19(28)3;1-14-5-4-6-15(2)24(14)19-9-17(11-29-16(19)3)20(10-23(34)35)30-21(32)13-31-12-18(25(26,27)28)7-8-22(31)33;1-15-5-2-3-8-19(15)16-6-4-7-17(11-16)20(12-23(32)33)28-21(30)14-29-13-18(24(25,26)27)9-10-22(29)31/h7-11,13,15-18,25-26H,12,14H2,1-6H3,(H,31,35);7-8,12,14-15,17,19,23,25H,9-11,13,16H2,1-6H3,(H,29,34);5-7,10-13,17-19,23-24H,8-9,14-16H2,1-4H3,(H,27,32);4-9,11-12,20H,10,13H2,1-3H3,(H,30,32)(H,34,35);2-11,13,20H,12,14H2,1H3,(H,28,30)(H,32,33)/t25-,26+;19-,23-,25+;19-,23-,24+;;20-/m100.0/s1.
What are the key properties of 3-[5-(2,6-dimethylphenyl)-6-methyl-3-pyridinyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid;(2S)-N-[(1R)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2R)-4-methyl-N-[(1S)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2R)-4-methyl-N-[(1S)-1-[3-[(2S)-2-methylpyrrolidin-1-yl]phenyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;(3S)-3-[3-(2-methylphenyl)phenyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid?
3-[5-(2,6-dimethylphenyl)-6-methyl-3-pyridinyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid;(2S)-N-[(1R)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2R)-4-methyl-N-[(1S)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2R)-4-methyl-N-[(1S)-1-[3-[(2S)-2-methylpyrrolidin-1-yl]phenyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;(3S)-3-[3-(2-methylphenyl)phenyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid has a molecular weight of 2339.74 g/mol, XLogP of 21.39, 41 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,6-dimethylphenyl)-6-methyl-3-pyridinyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid;(2S)-N-[(1R)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2R)-4-methyl-N-[(1S)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2R)-4-methyl-N-[(1S)-1-[3-[(2S)-2-methylpyrrolidin-1-yl]phenyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;(3S)-3-[3-(2-methylphenyl)phenyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid is sourced from PubChem (CID 159761819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).