4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-4-methoxy-3-[(1-oxidopyridin-1-ium-2-yl)methoxy]benzamide;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione;(2S,3R)-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-methyl-7-phenylheptanamide;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C216H231Cl6F2N29O44S — CID 160529973

IUPAC4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-4-methoxy-3-[(1-oxidopyridin-1-ium-2-yl)methoxy]benzamide;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione;(2S,3R)-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-methyl-7-phenylheptanamide;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O.COC(=O)C1CCC(C#N)(c2ccc(OC)c(OCC3CC3)c2)CC1.COc1ccc(C(=O)N=c2c(Cl)cn(O)cc2Cl)cc1OCc1cccc[n+]1[O-].COc1ccc(C(=O)Nc2c(C)noc2C)cc1OC1CCOC1.COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCCC1.COc1ccc(C2(C#N)CCC(C(=O)O)CC2)cc1OC1CCCC1.COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1.COc1ccc(OCc2c(C)cncc2C)c2nc(C3CC3)[nH]c12.COc1ccc(S(=O)(=O)[C@H](CCCCc2ccccc2)[C@@H](C)C(=O)NO)cc1.O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1.O=c1c2cccnc2c(-c2cccc([N+](=O)[O-])c2)nn1CC1CC1.O=c1c2cccnc2n(-c2cccc([N+](=O)[O-])c2)c(=O)n1Cc1ccncc1
InChIInChI=1S/C21H27NO5S.2C20H25NO4.C19H15Cl2N3O5.C19H13N5O4.C19H21N3O2.C18H18Cl2N2O3.C17H14Cl2F2N2O3.C17H14N4O3.C17H20N2O5.C16H21NO3.C13H18N4O3/c1-16(21(23)22-24)20(11-7-6-10-17-8-4-3-5-9-17)28(25,26)19-14-12-18(27-2)13-15-19;1-23-17-6-5-16(11-18(17)25-12-14-3-4-14)20(13-21)9-7-15(8-10-20)19(22)24-2;1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23;1-28-16-6-5-12(8-17(16)29-11-13-4-2-3-7-24(13)27)19(25)22-18-14(20)9-23(26)10-15(18)21;25-18-16-5-2-8-21-17(16)23(14-3-1-4-15(11-14)24(27)28)19(26)22(18)12-13-6-9-20-10-7-13;1-11-8-20-9-12(2)14(11)10-24-16-7-6-15(23-3)17-18(16)22-19(21-17)13-4-5-13;1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20;18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9;22-17-14-5-2-8-18-16(14)15(19-20(17)10-11-6-7-11)12-3-1-4-13(9-12)21(23)24;1-10-16(11(2)24-19-10)18-17(20)12-4-5-14(21-3)15(8-12)23-13-6-7-22-9-13;1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13;1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h3-5,8-9,12-16,20,24H,6-7,10-11H2,1-2H3,(H,22,23);5-6,11,14-15H,3-4,7-10,12H2,1-2H3;6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23);2-10,26H,11H2,1H3;1-11H,12H2;6-9,13H,4-5,10H2,1-3H3,(H,21,22);6-10,12H,2-5H2,1H3,(H,21,22,23);3-7,9,17H,1-2,8H2,(H,22,23,24);1-5,8-9,11H,6-7,10H2;4-5,8,13H,6-7,9H2,1-3H3,(H,18,20);6-8,12-13H,2-5,9-10H2,1H3,(H,17,18);8H,4-7H2,1-3H3/t16-,20-;;;;;;;;;;;/m1.........../s1
InChIKeyDCCVORNFUJPQPC-CZTZQAGSSA-N
MW4220.16 g/mol
LogP38.30
Rot. Bonds65

About 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-4-methoxy-3-[(1-oxidopyridin-1-ium-2-yl)methoxy]benzamide;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione;(2S,3R)-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-methyl-7-phenylheptanamide;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione

4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-4-methoxy-3-[(1-oxidopyridin-1-ium-2-yl)methoxy]benzamide;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione;(2S,3R)-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-methyl-7-phenylheptanamide;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 160529973) has the molecular formula C216H231Cl6F2N29O44S and a molecular weight of 4220.16 g/mol. Its IUPAC name is 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-4-methoxy-3-[(1-oxidopyridin-1-ium-2-yl)methoxy]benzamide;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione;(2S,3R)-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-methyl-7-phenylheptanamide;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-4-methoxy-3-[(1-oxidopyridin-1-ium-2-yl)methoxy]benzamide;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione;(2S,3R)-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-methyl-7-phenylheptanamide;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID160529973
Molecular FormulaC216H231Cl6F2N29O44S
Molecular Weight4220.16 g/mol
Exact Mass4214.45
IUPAC Name4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-4-methoxy-3-[(1-oxidopyridin-1-ium-2-yl)methoxy]benzamide;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione;(2S,3R)-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-methyl-7-phenylheptanamide;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O.COC(=O)C1CCC(C#N)(c2ccc(OC)c(OCC3CC3)c2)CC1.COc1ccc(C(=O)N=c2c(Cl)cn(O)cc2Cl)cc1OCc1cccc[n+]1[O-].COc1ccc(C(=O)Nc2c(C)noc2C)cc1OC1CCOC1.COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCCC1.COc1ccc(C2(C#N)CCC(C(=O)O)CC2)cc1OC1CCCC1.COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1.COc1ccc(OCc2c(C)cncc2C)c2nc(C3CC3)[nH]c12.COc1ccc(S(=O)(=O)[C@H](CCCCc2ccccc2)[C@@H](C)C(=O)NO)cc1.O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1.O=c1c2cccnc2c(-c2cccc([N+](=O)[O-])c2)nn1CC1CC1.O=c1c2cccnc2n(-c2cccc([N+](=O)[O-])c2)c(=O)n1Cc1ccncc1
InChIInChI=1S/C21H27NO5S.2C20H25NO4.C19H15Cl2N3O5.C19H13N5O4.C19H21N3O2.C18H18Cl2N2O3.C17H14Cl2F2N2O3.C17H14N4O3.C17H20N2O5.C16H21NO3.C13H18N4O3/c1-16(21(23)22-24)20(11-7-6-10-17-8-4-3-5-9-17)28(25,26)19-14-12-18(27-2)13-15-19;1-23-17-6-5-16(11-18(17)25-12-14-3-4-14)20(13-21)9-7-15(8-10-20)19(22)24-2;1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23;1-28-16-6-5-12(8-17(16)29-11-13-4-2-3-7-24(13)27)19(25)22-18-14(20)9-23(26)10-15(18)21;25-18-16-5-2-8-21-17(16)23(14-3-1-4-15(11-14)24(27)28)19(26)22(18)12-13-6-9-20-10-7-13;1-11-8-20-9-12(2)14(11)10-24-16-7-6-15(23-3)17-18(16)22-19(21-17)13-4-5-13;1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20;18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9;22-17-14-5-2-8-18-16(14)15(19-20(17)10-11-6-7-11)12-3-1-4-13(9-12)21(23)24;1-10-16(11(2)24-19-10)18-17(20)12-4-5-14(21-3)15(8-12)23-13-6-7-22-9-13;1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13;1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h3-5,8-9,12-16,20,24H,6-7,10-11H2,1-2H3,(H,22,23);5-6,11,14-15H,3-4,7-10,12H2,1-2H3;6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23);2-10,26H,11H2,1H3;1-11H,12H2;6-9,13H,4-5,10H2,1-3H3,(H,21,22);6-10,12H,2-5H2,1H3,(H,21,22,23);3-7,9,17H,1-2,8H2,(H,22,23,24);1-5,8-9,11H,6-7,10H2;4-5,8,13H,6-7,9H2,1-3H3,(H,18,20);6-8,12-13H,2-5,9-10H2,1H3,(H,17,18);8H,4-7H2,1-3H3/t16-,20-;;;;;;;;;;;/m1.........../s1
InChIKeyDCCVORNFUJPQPC-CZTZQAGSSA-N
XLogP38.30
TPSA934.83 Ų
H-Bond Donors9
H-Bond Acceptors62
Rotatable Bonds65
Heavy Atoms298
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004220.16
LogP ≤ 538.30
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1062

Analyze 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-4-methoxy-3-[(1-oxidopyridin-1-ium-2-yl)methoxy]benzamide;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione;(2S,3R)-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-methyl-7-phenylheptanamide;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-4-methoxy-3-[(1-oxidopyridin-1-ium-2-yl)methoxy]benzamide;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;N-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-methyl-7-phenylheptanamide;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 157595323
CID 158035434
CID 158035434
4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 158387484
3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide;3-cyclopentyloxy-N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxybenzamide;3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrazolidine-1-carboxamide;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;(3,5-dichloro-1-oxidopyridin-1-ium-4-yl) 4-methoxy-3-[(1-oxidopyridin-1-ium-2-yl)methoxy]benzoate;4-(3,4-dimethoxyphenyl)-N'-hydroxy-1,3-thiazole-2-carboximidamide;3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione;N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide;N-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-methyl-7-phenylheptanamide
CID 172963514

Frequently Asked Questions

What is the IUPAC name of 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-4-methoxy-3-[(1-oxidopyridin-1-ium-2-yl)methoxy]benzamide;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione;(2S,3R)-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-methyl-7-phenylheptanamide;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-4-methoxy-3-[(1-oxidopyridin-1-ium-2-yl)methoxy]benzamide;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione;(2S,3R)-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-methyl-7-phenylheptanamide;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 160529973) is 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-4-methoxy-3-[(1-oxidopyridin-1-ium-2-yl)methoxy]benzamide;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione;(2S,3R)-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-methyl-7-phenylheptanamide;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-4-methoxy-3-[(1-oxidopyridin-1-ium-2-yl)methoxy]benzamide;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione;(2S,3R)-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-methyl-7-phenylheptanamide;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-4-methoxy-3-[(1-oxidopyridin-1-ium-2-yl)methoxy]benzamide;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione;(2S,3R)-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-methyl-7-phenylheptanamide;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione is CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O.COC(=O)C1CCC(C#N)(c2ccc(OC)c(OCC3CC3)c2)CC1.COc1ccc(C(=O)N=c2c(Cl)cn(O)cc2Cl)cc1OCc1cccc[n+]1[O-].COc1ccc(C(=O)Nc2c(C)noc2C)cc1OC1CCOC1.COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCCC1.COc1ccc(C2(C#N)CCC(C(=O)O)CC2)cc1OC1CCCC1.COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1.COc1ccc(OCc2c(C)cncc2C)c2nc(C3CC3)[nH]c12.COc1ccc(S(=O)(=O)[C@H](CCCCc2ccccc2)[C@@H](C)C(=O)NO)cc1.O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1.O=c1c2cccnc2c(-c2cccc([N+](=O)[O-])c2)nn1CC1CC1.O=c1c2cccnc2n(-c2cccc([N+](=O)[O-])c2)c(=O)n1Cc1ccncc1.
What is the InChIKey of 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-4-methoxy-3-[(1-oxidopyridin-1-ium-2-yl)methoxy]benzamide;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione;(2S,3R)-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-methyl-7-phenylheptanamide;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is DCCVORNFUJPQPC-CZTZQAGSSA-N. The full InChI is InChI=1S/C21H27NO5S.2C20H25NO4.C19H15Cl2N3O5.C19H13N5O4.C19H21N3O2.C18H18Cl2N2O3.C17H14Cl2F2N2O3.C17H14N4O3.C17H20N2O5.C16H21NO3.C13H18N4O3/c1-16(21(23)22-24)20(11-7-6-10-17-8-4-3-5-9-17)28(25,26)19-14-12-18(27-2)13-15-19;1-23-17-6-5-16(11-18(17)25-12-14-3-4-14)20(13-21)9-7-15(8-10-20)19(22)24-2;1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23;1-28-16-6-5-12(8-17(16)29-11-13-4-2-3-7-24(13)27)19(25)22-18-14(20)9-23(26)10-15(18)21;25-18-16-5-2-8-21-17(16)23(14-3-1-4-15(11-14)24(27)28)19(26)22(18)12-13-6-9-20-10-7-13;1-11-8-20-9-12(2)14(11)10-24-16-7-6-15(23-3)17-18(16)22-19(21-17)13-4-5-13;1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20;18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9;22-17-14-5-2-8-18-16(14)15(19-20(17)10-11-6-7-11)12-3-1-4-13(9-12)21(23)24;1-10-16(11(2)24-19-10)18-17(20)12-4-5-14(21-3)15(8-12)23-13-6-7-22-9-13;1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13;1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h3-5,8-9,12-16,20,24H,6-7,10-11H2,1-2H3,(H,22,23);5-6,11,14-15H,3-4,7-10,12H2,1-2H3;6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23);2-10,26H,11H2,1H3;1-11H,12H2;6-9,13H,4-5,10H2,1-3H3,(H,21,22);6-10,12H,2-5H2,1H3,(H,21,22,23);3-7,9,17H,1-2,8H2,(H,22,23,24);1-5,8-9,11H,6-7,10H2;4-5,8,13H,6-7,9H2,1-3H3,(H,18,20);6-8,12-13H,2-5,9-10H2,1H3,(H,17,18);8H,4-7H2,1-3H3/t16-,20-;;;;;;;;;;;/m1.........../s1.
What are the key properties of 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-4-methoxy-3-[(1-oxidopyridin-1-ium-2-yl)methoxy]benzamide;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione;(2S,3R)-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-methyl-7-phenylheptanamide;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-4-methoxy-3-[(1-oxidopyridin-1-ium-2-yl)methoxy]benzamide;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione;(2S,3R)-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-methyl-7-phenylheptanamide;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 4220.16 g/mol, XLogP of 38.30, 65 rotatable bonds, 9 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-4-methoxy-3-[(1-oxidopyridin-1-ium-2-yl)methoxy]benzamide;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione;(2S,3R)-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-methyl-7-phenylheptanamide;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 160529973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).