5-chloropyridin-2-amine;2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetic acid;N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(2-oxopropylsulfanyl)benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-nitrobenzamide;ethane;5-fluoro-2-nitrobenzoic acid;methyl 2-[4-amino-3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[(4-isocyanobenzoyl)amino]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenyl]sulfanylacetate;methyl 2-sulfanylacetate

C182H168Cl9F2N37O35S8 — CID 158228714

IUPAC5-chloropyridin-2-amine;2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetic acid;N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(2-oxopropylsulfanyl)benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-nitrobenzamide;ethane;5-fluoro-2-nitrobenzoic acid;methyl 2-[4-amino-3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[(4-isocyanobenzoyl)amino]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenyl]sulfanylacetate;methyl 2-sulfanylacetate
SMILESCC.COC(=O)CS.COC(=O)CSc1ccc(N)c(C(=O)Nc2ccc(Cl)cn2)c1.COC(=O)CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cn2)c1.Nc1ccc(Cl)cn1.O=C(Nc1ccc(Cl)cn1)c1cc(F)ccc1[N+](=O)[O-].O=C(O)c1cc(F)ccc1[N+](=O)[O-].[C-]#[N+]c1ccc(C(=O)Nc2ccc(SCC(=O)OC)cc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(SCC(=O)N(C)C)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccc(SCC(=O)O)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccc(SCC(=O)OC)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccc(SCC(C)=O)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C
InChIInChI=1S/C26H27ClN6O3S.C25H24ClN5O4S.C25H24ClN5O3S.C24H22ClN5O4S.C23H17ClN4O4S.C15H12ClN3O5S.C15H14ClN3O3S.C12H7ClFN3O3.C7H4FNO4.C5H5ClN2.C3H6O2S.C2H6/c1-32(2)23(34)15-37-19-10-11-21(20(13-19)26(36)31-22-12-9-18(27)14-29-22)30-25(35)17-7-5-16(6-8-17)24(28)33(3)4;1-31(2)23(27)15-4-6-16(7-5-15)24(33)29-20-10-9-18(36-14-22(32)35-3)12-19(20)25(34)30-21-11-8-17(26)13-28-21;1-15(32)14-35-19-9-10-21(20(12-19)25(34)30-22-11-8-18(26)13-28-22)29-24(33)17-6-4-16(5-7-17)23(27)31(2)3;1-30(2)22(26)14-3-5-15(6-4-14)23(33)28-19-9-8-17(35-13-21(31)32)11-18(19)24(34)29-20-10-7-16(25)12-27-20;1-25-16-6-3-14(4-7-16)22(30)27-19-9-8-17(33-13-21(29)32-2)11-18(19)23(31)28-20-10-5-15(24)12-26-20;1-24-14(20)8-25-10-3-4-12(19(22)23)11(6-10)15(21)18-13-5-2-9(16)7-17-13;1-22-14(20)8-23-10-3-4-12(17)11(6-10)15(21)19-13-5-2-9(16)7-18-13;13-7-1-4-11(15-6-7)16-12(18)9-5-8(14)2-3-10(9)17(19)20;8-4-1-2-6(9(12)13)5(3-4)7(10)11;6-4-1-2-5(7)8-3-4;1-5-3(4)2-6;1-2/h5-14,28H,15H2,1-4H3,(H,30,35)(H,29,31,36);4-13,27H,14H2,1-3H3,(H,29,33)(H,28,30,34);4-13,27H,14H2,1-3H3,(H,29,33)(H,28,30,34);3-12,26H,13H2,1-2H3,(H,28,33)(H,31,32)(H,27,29,34);3-12H,13H2,2H3,(H,27,30)(H,26,28,31);2-7H,8H2,1H3,(H,17,18,21);2-7H,8,17H2,1H3,(H,18,19,21);1-6H,(H,15,16,18);1-3H,(H,10,11);1-3H,(H2,7,8);6H,2H2,1H3;1-2H3/b28-24-;2*27-23-;26-22-;;;;;;;;
InChIKeyGECSGORMIDBJIA-VFUHELJHSA-N
MW4047.18 g/mol
LogP35.76
Rot. Bonds56

About 5-chloropyridin-2-amine;2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetic acid;N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(2-oxopropylsulfanyl)benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-nitrobenzamide;ethane;5-fluoro-2-nitrobenzoic acid;methyl 2-[4-amino-3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[(4-isocyanobenzoyl)amino]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenyl]sulfanylacetate;methyl 2-sulfanylacetate

5-chloropyridin-2-amine;2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetic acid;N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(2-oxopropylsulfanyl)benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-nitrobenzamide;ethane;5-fluoro-2-nitrobenzoic acid;methyl 2-[4-amino-3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[(4-isocyanobenzoyl)amino]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenyl]sulfanylacetate;methyl 2-sulfanylacetate (PubChem CID 158228714) has the molecular formula C182H168Cl9F2N37O35S8 and a molecular weight of 4047.18 g/mol. Its IUPAC name is 5-chloropyridin-2-amine;2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetic acid;N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(2-oxopropylsulfanyl)benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-nitrobenzamide;ethane;5-fluoro-2-nitrobenzoic acid;methyl 2-[4-amino-3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[(4-isocyanobenzoyl)amino]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenyl]sulfanylacetate;methyl 2-sulfanylacetate.

Molecular Properties

Compound Name5-chloropyridin-2-amine;2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetic acid;N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(2-oxopropylsulfanyl)benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-nitrobenzamide;ethane;5-fluoro-2-nitrobenzoic acid;methyl 2-[4-amino-3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[(4-isocyanobenzoyl)amino]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenyl]sulfanylacetate;methyl 2-sulfanylacetate
PubChem CID158228714
Molecular FormulaC182H168Cl9F2N37O35S8
Molecular Weight4047.18 g/mol
Exact Mass4039.74
IUPAC Name5-chloropyridin-2-amine;2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetic acid;N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(2-oxopropylsulfanyl)benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-nitrobenzamide;ethane;5-fluoro-2-nitrobenzoic acid;methyl 2-[4-amino-3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[(4-isocyanobenzoyl)amino]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenyl]sulfanylacetate;methyl 2-sulfanylacetate
SMILESCC.COC(=O)CS.COC(=O)CSc1ccc(N)c(C(=O)Nc2ccc(Cl)cn2)c1.COC(=O)CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cn2)c1.Nc1ccc(Cl)cn1.O=C(Nc1ccc(Cl)cn1)c1cc(F)ccc1[N+](=O)[O-].O=C(O)c1cc(F)ccc1[N+](=O)[O-].[C-]#[N+]c1ccc(C(=O)Nc2ccc(SCC(=O)OC)cc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(SCC(=O)N(C)C)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccc(SCC(=O)O)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccc(SCC(=O)OC)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccc(SCC(C)=O)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C
InChIInChI=1S/C26H27ClN6O3S.C25H24ClN5O4S.C25H24ClN5O3S.C24H22ClN5O4S.C23H17ClN4O4S.C15H12ClN3O5S.C15H14ClN3O3S.C12H7ClFN3O3.C7H4FNO4.C5H5ClN2.C3H6O2S.C2H6/c1-32(2)23(34)15-37-19-10-11-21(20(13-19)26(36)31-22-12-9-18(27)14-29-22)30-25(35)17-7-5-16(6-8-17)24(28)33(3)4;1-31(2)23(27)15-4-6-16(7-5-15)24(33)29-20-10-9-18(36-14-22(32)35-3)12-19(20)25(34)30-21-11-8-17(26)13-28-21;1-15(32)14-35-19-9-10-21(20(12-19)25(34)30-22-11-8-18(26)13-28-22)29-24(33)17-6-4-16(5-7-17)23(27)31(2)3;1-30(2)22(26)14-3-5-15(6-4-14)23(33)28-19-9-8-17(35-13-21(31)32)11-18(19)24(34)29-20-10-7-16(25)12-27-20;1-25-16-6-3-14(4-7-16)22(30)27-19-9-8-17(33-13-21(29)32-2)11-18(19)23(31)28-20-10-5-15(24)12-26-20;1-24-14(20)8-25-10-3-4-12(19(22)23)11(6-10)15(21)18-13-5-2-9(16)7-17-13;1-22-14(20)8-23-10-3-4-12(17)11(6-10)15(21)19-13-5-2-9(16)7-18-13;13-7-1-4-11(15-6-7)16-12(18)9-5-8(14)2-3-10(9)17(19)20;8-4-1-2-6(9(12)13)5(3-4)7(10)11;6-4-1-2-5(7)8-3-4;1-5-3(4)2-6;1-2/h5-14,28H,15H2,1-4H3,(H,30,35)(H,29,31,36);4-13,27H,14H2,1-3H3,(H,29,33)(H,28,30,34);4-13,27H,14H2,1-3H3,(H,29,33)(H,28,30,34);3-12,26H,13H2,1-2H3,(H,28,33)(H,31,32)(H,27,29,34);3-12H,13H2,2H3,(H,27,30)(H,26,28,31);2-7H,8H2,1H3,(H,17,18,21);2-7H,8,17H2,1H3,(H,18,19,21);1-6H,(H,15,16,18);1-3H,(H,10,11);1-3H,(H2,7,8);6H,2H2,1H3;1-2H3/b28-24-;2*27-23-;26-22-;;;;;;;;
InChIKeyGECSGORMIDBJIA-VFUHELJHSA-N
XLogP35.76
TPSA1031.97 Ų
H-Bond Donors22
H-Bond Acceptors56
Rotatable Bonds56
Heavy Atoms273
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004047.18
LogP ≤ 535.76
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1056

Analyze 5-chloropyridin-2-amine;2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetic acid;N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(2-oxopropylsulfanyl)benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-nitrobenzamide;ethane;5-fluoro-2-nitrobenzoic acid;methyl 2-[4-amino-3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[(4-isocyanobenzoyl)amino]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenyl]sulfanylacetate;methyl 2-sulfanylacetate with MolForge

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Launch Full Analysis

Related Compounds

2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]phenyl]sulfanylacetic acid;N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(2-oxopropylsulfanyl)benzamide;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[(4-isocyanobenzoyl)amino]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]phenyl]sulfanylacetate
CID 158683996

Frequently Asked Questions

What is the IUPAC name of 5-chloropyridin-2-amine;2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetic acid;N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(2-oxopropylsulfanyl)benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-nitrobenzamide;ethane;5-fluoro-2-nitrobenzoic acid;methyl 2-[4-amino-3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[(4-isocyanobenzoyl)amino]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenyl]sulfanylacetate;methyl 2-sulfanylacetate?
The IUPAC name of 5-chloropyridin-2-amine;2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetic acid;N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(2-oxopropylsulfanyl)benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-nitrobenzamide;ethane;5-fluoro-2-nitrobenzoic acid;methyl 2-[4-amino-3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[(4-isocyanobenzoyl)amino]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenyl]sulfanylacetate;methyl 2-sulfanylacetate (CID 158228714) is 5-chloropyridin-2-amine;2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetic acid;N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(2-oxopropylsulfanyl)benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-nitrobenzamide;ethane;5-fluoro-2-nitrobenzoic acid;methyl 2-[4-amino-3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[(4-isocyanobenzoyl)amino]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenyl]sulfanylacetate;methyl 2-sulfanylacetate.
What is the SMILES notation for 5-chloropyridin-2-amine;2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetic acid;N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(2-oxopropylsulfanyl)benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-nitrobenzamide;ethane;5-fluoro-2-nitrobenzoic acid;methyl 2-[4-amino-3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[(4-isocyanobenzoyl)amino]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenyl]sulfanylacetate;methyl 2-sulfanylacetate?
The canonical SMILES for 5-chloropyridin-2-amine;2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetic acid;N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(2-oxopropylsulfanyl)benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-nitrobenzamide;ethane;5-fluoro-2-nitrobenzoic acid;methyl 2-[4-amino-3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[(4-isocyanobenzoyl)amino]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenyl]sulfanylacetate;methyl 2-sulfanylacetate is CC.COC(=O)CS.COC(=O)CSc1ccc(N)c(C(=O)Nc2ccc(Cl)cn2)c1.COC(=O)CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cn2)c1.Nc1ccc(Cl)cn1.O=C(Nc1ccc(Cl)cn1)c1cc(F)ccc1[N+](=O)[O-].O=C(O)c1cc(F)ccc1[N+](=O)[O-].[C-]#[N+]c1ccc(C(=O)Nc2ccc(SCC(=O)OC)cc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(SCC(=O)N(C)C)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccc(SCC(=O)O)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccc(SCC(=O)OC)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccc(SCC(C)=O)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.
What is the InChIKey of 5-chloropyridin-2-amine;2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetic acid;N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(2-oxopropylsulfanyl)benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-nitrobenzamide;ethane;5-fluoro-2-nitrobenzoic acid;methyl 2-[4-amino-3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[(4-isocyanobenzoyl)amino]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenyl]sulfanylacetate;methyl 2-sulfanylacetate?
The InChIKey is GECSGORMIDBJIA-VFUHELJHSA-N. The full InChI is InChI=1S/C26H27ClN6O3S.C25H24ClN5O4S.C25H24ClN5O3S.C24H22ClN5O4S.C23H17ClN4O4S.C15H12ClN3O5S.C15H14ClN3O3S.C12H7ClFN3O3.C7H4FNO4.C5H5ClN2.C3H6O2S.C2H6/c1-32(2)23(34)15-37-19-10-11-21(20(13-19)26(36)31-22-12-9-18(27)14-29-22)30-25(35)17-7-5-16(6-8-17)24(28)33(3)4;1-31(2)23(27)15-4-6-16(7-5-15)24(33)29-20-10-9-18(36-14-22(32)35-3)12-19(20)25(34)30-21-11-8-17(26)13-28-21;1-15(32)14-35-19-9-10-21(20(12-19)25(34)30-22-11-8-18(26)13-28-22)29-24(33)17-6-4-16(5-7-17)23(27)31(2)3;1-30(2)22(26)14-3-5-15(6-4-14)23(33)28-19-9-8-17(35-13-21(31)32)11-18(19)24(34)29-20-10-7-16(25)12-27-20;1-25-16-6-3-14(4-7-16)22(30)27-19-9-8-17(33-13-21(29)32-2)11-18(19)23(31)28-20-10-5-15(24)12-26-20;1-24-14(20)8-25-10-3-4-12(19(22)23)11(6-10)15(21)18-13-5-2-9(16)7-17-13;1-22-14(20)8-23-10-3-4-12(17)11(6-10)15(21)19-13-5-2-9(16)7-18-13;13-7-1-4-11(15-6-7)16-12(18)9-5-8(14)2-3-10(9)17(19)20;8-4-1-2-6(9(12)13)5(3-4)7(10)11;6-4-1-2-5(7)8-3-4;1-5-3(4)2-6;1-2/h5-14,28H,15H2,1-4H3,(H,30,35)(H,29,31,36);4-13,27H,14H2,1-3H3,(H,29,33)(H,28,30,34);4-13,27H,14H2,1-3H3,(H,29,33)(H,28,30,34);3-12,26H,13H2,1-2H3,(H,28,33)(H,31,32)(H,27,29,34);3-12H,13H2,2H3,(H,27,30)(H,26,28,31);2-7H,8H2,1H3,(H,17,18,21);2-7H,8,17H2,1H3,(H,18,19,21);1-6H,(H,15,16,18);1-3H,(H,10,11);1-3H,(H2,7,8);6H,2H2,1H3;1-2H3/b28-24-;2*27-23-;26-22-;;;;;;;;.
What are the key properties of 5-chloropyridin-2-amine;2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetic acid;N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(2-oxopropylsulfanyl)benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-nitrobenzamide;ethane;5-fluoro-2-nitrobenzoic acid;methyl 2-[4-amino-3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[(4-isocyanobenzoyl)amino]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenyl]sulfanylacetate;methyl 2-sulfanylacetate?
5-chloropyridin-2-amine;2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetic acid;N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(2-oxopropylsulfanyl)benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-nitrobenzamide;ethane;5-fluoro-2-nitrobenzoic acid;methyl 2-[4-amino-3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[(4-isocyanobenzoyl)amino]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenyl]sulfanylacetate;methyl 2-sulfanylacetate has a molecular weight of 4047.18 g/mol, XLogP of 35.76, 56 rotatable bonds, 22 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloropyridin-2-amine;2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetic acid;N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(2-oxopropylsulfanyl)benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-nitrobenzamide;ethane;5-fluoro-2-nitrobenzoic acid;methyl 2-[4-amino-3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[(4-isocyanobenzoyl)amino]phenyl]sulfanylacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenyl]sulfanylacetate;methyl 2-sulfanylacetate is sourced from PubChem (CID 158228714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).