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

C185H201Cl6F2N27O40S3 — CID 172963514

IUPAC3-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
SMILESCC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O.COc1cc2cc(C(N)=NO)sc2cc1OC.COc1ccc(-c2csc(/C(N)=N/O)n2)cc1OC.COc1ccc(C(=O)Nc2c(C)noc2C)cc1OC1CCCC1.COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCCC1.COc1ccc(C(=O)Oc2c(Cl)c[n+]([O-])cc2Cl)cc1OCc1cccc[n+]1[O-].COc1ccc(C2CC(=O)N(C(=O)NCc3cccnc3)N2C)cc1OC1CCCC1.COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1.COc1ccc(S(=O)(=O)C(CCCCc2ccccc2)C(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
InChIInChI=1S/C23H28N4O4.C21H27NO5S.C19H14Cl2N2O6.C18H18Cl2N2O3.C18H22N2O4.C17H14Cl2F2N2O3.C17H14N4O3.C16H21NO3.C13H18N4O3.C12H13N3O3S.C11H12N2O3S/c1-26-19(13-22(28)27(26)23(29)25-15-16-6-5-11-24-14-16)17-9-10-20(30-2)21(12-17)31-18-7-3-4-8-18;1-16(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;1-27-16-6-5-12(8-17(16)28-11-13-4-2-3-7-23(13)26)19(24)29-18-14(20)9-22(25)10-15(18)21;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;1-11-17(12(2)24-20-11)19-18(21)13-8-9-15(22-3)16(10-13)23-14-6-4-5-7-14;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;1-19-14-7-6-11(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;1-17-9-4-3-7(5-10(9)18-2)8-6-19-12(14-8)11(13)15-16;1-15-7-3-6-4-10(11(12)13-14)17-9(6)5-8(7)16-2/h5-6,9-12,14,18-19H,3-4,7-8,13,15H2,1-2H3,(H,25,29);3-5,8-9,12-16,20,24H,6-7,10-11H2,1-2H3,(H,22,23);2-10H,11H2,1H3;6-10,12H,2-5H2,1H3,(H,21,22,23);8-10,14H,4-7H2,1-3H3,(H,19,21);3-7,9,17H,1-2,8H2,(H,22,23,24);1-5,8-9,11H,6-7,10H2;6-8,12-13H,2-5,9-10H2,1H3,(H,17,18);8H,4-7H2,1-3H3;3-6,16H,1-2H3,(H2,13,15);3-5,14H,1-2H3,(H2,12,13)
InChIKeyXTTRGTFAVYWOAY-UHFFFAOYSA-N
MW3789.71 g/mol
LogP33.30
Rot. Bonds59

About 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

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 (PubChem CID 172963514) has the molecular formula C185H201Cl6F2N27O40S3 and a molecular weight of 3789.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID172963514
Molecular FormulaC185H201Cl6F2N27O40S3
Molecular Weight3789.71 g/mol
Exact Mass3784.18
IUPAC Name3-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
SMILESCC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O.COc1cc2cc(C(N)=NO)sc2cc1OC.COc1ccc(-c2csc(/C(N)=N/O)n2)cc1OC.COc1ccc(C(=O)Nc2c(C)noc2C)cc1OC1CCCC1.COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCCC1.COc1ccc(C(=O)Oc2c(Cl)c[n+]([O-])cc2Cl)cc1OCc1cccc[n+]1[O-].COc1ccc(C2CC(=O)N(C(=O)NCc3cccnc3)N2C)cc1OC1CCCC1.COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1.COc1ccc(S(=O)(=O)C(CCCCc2ccccc2)C(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
InChIInChI=1S/C23H28N4O4.C21H27NO5S.C19H14Cl2N2O6.C18H18Cl2N2O3.C18H22N2O4.C17H14Cl2F2N2O3.C17H14N4O3.C16H21NO3.C13H18N4O3.C12H13N3O3S.C11H12N2O3S/c1-26-19(13-22(28)27(26)23(29)25-15-16-6-5-11-24-14-16)17-9-10-20(30-2)21(12-17)31-18-7-3-4-8-18;1-16(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;1-27-16-6-5-12(8-17(16)28-11-13-4-2-3-7-23(13)26)19(24)29-18-14(20)9-22(25)10-15(18)21;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;1-11-17(12(2)24-20-11)19-18(21)13-8-9-15(22-3)16(10-13)23-14-6-4-5-7-14;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;1-19-14-7-6-11(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;1-17-9-4-3-7(5-10(9)18-2)8-6-19-12(14-8)11(13)15-16;1-15-7-3-6-4-10(11(12)13-14)17-9(6)5-8(7)16-2/h5-6,9-12,14,18-19H,3-4,7-8,13,15H2,1-2H3,(H,25,29);3-5,8-9,12-16,20,24H,6-7,10-11H2,1-2H3,(H,22,23);2-10H,11H2,1H3;6-10,12H,2-5H2,1H3,(H,21,22,23);8-10,14H,4-7H2,1-3H3,(H,19,21);3-7,9,17H,1-2,8H2,(H,22,23,24);1-5,8-9,11H,6-7,10H2;6-8,12-13H,2-5,9-10H2,1H3,(H,17,18);8H,4-7H2,1-3H3;3-6,16H,1-2H3,(H2,13,15);3-5,14H,1-2H3,(H2,12,13)
InChIKeyXTTRGTFAVYWOAY-UHFFFAOYSA-N
XLogP33.30
TPSA854.23 Ų
H-Bond Donors11
H-Bond Acceptors57
Rotatable Bonds59
Heavy Atoms263
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003789.71
LogP ≤ 533.30
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1057

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O.COc1cc2cc(C(N)=NO)sc2cc1OC.COc1ccc(-c2csc(/C(N)=N/O)n2)cc1OC.COc1ccc(C(=O)Nc2c(C)noc2C)cc1OC1CCCC1.COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCCC1.COc1ccc(C(=O)Oc2c(Cl)c[n+]([O-])cc2Cl)cc1OCc1cccc[n+]1[O-].COc1ccc(C2CC(=O)N(C(=O)NCc3cccnc3)N2C)cc1OC1CCCC1.COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1.COc1ccc(S(=O)(=O)C(CCCCc2ccccc2)C(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.
What is the InChIKey of 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?
The InChIKey is XTTRGTFAVYWOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4.C21H27NO5S.C19H14Cl2N2O6.C18H18Cl2N2O3.C18H22N2O4.C17H14Cl2F2N2O3.C17H14N4O3.C16H21NO3.C13H18N4O3.C12H13N3O3S.C11H12N2O3S/c1-26-19(13-22(28)27(26)23(29)25-15-16-6-5-11-24-14-16)17-9-10-20(30-2)21(12-17)31-18-7-3-4-8-18;1-16(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;1-27-16-6-5-12(8-17(16)28-11-13-4-2-3-7-23(13)26)19(24)29-18-14(20)9-22(25)10-15(18)21;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;1-11-17(12(2)24-20-11)19-18(21)13-8-9-15(22-3)16(10-13)23-14-6-4-5-7-14;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;1-19-14-7-6-11(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;1-17-9-4-3-7(5-10(9)18-2)8-6-19-12(14-8)11(13)15-16;1-15-7-3-6-4-10(11(12)13-14)17-9(6)5-8(7)16-2/h5-6,9-12,14,18-19H,3-4,7-8,13,15H2,1-2H3,(H,25,29);3-5,8-9,12-16,20,24H,6-7,10-11H2,1-2H3,(H,22,23);2-10H,11H2,1H3;6-10,12H,2-5H2,1H3,(H,21,22,23);8-10,14H,4-7H2,1-3H3,(H,19,21);3-7,9,17H,1-2,8H2,(H,22,23,24);1-5,8-9,11H,6-7,10H2;6-8,12-13H,2-5,9-10H2,1H3,(H,17,18);8H,4-7H2,1-3H3;3-6,16H,1-2H3,(H2,13,15);3-5,14H,1-2H3,(H2,12,13).
What are the key properties of 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?
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 has a molecular weight of 3789.71 g/mol, XLogP of 33.30, 59 rotatable bonds, 11 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 172963514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).