N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(octylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]benzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[2-[8-(methylamino)octyl]-4-methylsulfonylbenzoyl]amino]benzamide;methane;methyl 8-[[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenoxy]acetyl]amino]octanimidate;methyl 8-[[2-[4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-3-(pyridin-2-ylcarbamoyl)phenoxy]acetyl]amino]octanimidate

C163H202Cl4N30O24S — CID 158540996

IUPACN-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(octylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]benzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[2-[8-(methylamino)octyl]-4-methylsulfonylbenzoyl]amino]benzamide;methane;methyl 8-[[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenoxy]acetyl]amino]octanimidate;methyl 8-[[2-[4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-3-(pyridin-2-ylcarbamoyl)phenoxy]acetyl]amino]octanimidate
SMILESC.CNCCCCCCCCc1cc(S(C)(=O)=O)ccc1C(=O)Nc1ccc(OC)cc1C(=O)Nc1ccc(Cl)cn1.[H]/N=C(/CCCCCCCNC(=O)COc1ccc(NC(=O)c2ccc(/C(=N/[H])N(C)C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1)OC.[H]/N=C(/CCCCCCCNC(=O)COc1ccc(NC(=O)c2ccc(/C(=N/[H])N(C)C)cc2)c(C(=O)Nc2ccccn2)c1)OC.[H]/N=C(/c1ccc(C(=O)Nc2ccc(OCC(=O)NCCCCCCCC(=O)CC)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccc(OCC(=O)NCCCCCCCC)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C
InChIInChI=1S/C34H41ClN6O5.C33H40ClN7O5.C33H41N7O5.C32H39ClN6O4.C30H37ClN4O5S.CH4/c1-4-26(42)10-8-6-5-7-9-19-37-31(43)22-46-27-16-17-29(28(20-27)34(45)40-30-18-15-25(35)21-38-30)39-33(44)24-13-11-23(12-14-24)32(36)41(2)3;1-41(2)31(36)22-10-12-23(13-11-22)32(43)39-27-16-15-25(19-26(27)33(44)40-29-17-14-24(34)20-38-29)46-21-30(42)37-18-8-6-4-5-7-9-28(35)45-3;1-40(2)31(35)23-13-15-24(16-14-23)32(42)38-27-18-17-25(21-26(27)33(43)39-29-12-8-10-19-36-29)45-22-30(41)37-20-9-6-4-5-7-11-28(34)44-3;1-4-5-6-7-8-9-18-35-29(40)21-43-25-15-16-27(26(19-25)32(42)38-28-17-14-24(33)20-36-28)37-31(41)23-12-10-22(11-13-23)30(34)39(2)3;1-32-17-9-7-5-4-6-8-10-21-18-24(41(3,38)39)13-14-25(21)29(36)34-27-15-12-23(40-2)19-26(27)30(37)35-28-16-11-22(31)20-33-28;/h11-18,20-21,36H,4-10,19,22H2,1-3H3,(H,37,43)(H,39,44)(H,38,40,45);10-17,19-20,35-36H,4-9,18,21H2,1-3H3,(H,37,42)(H,39,43)(H,38,40,44);8,10,12-19,21,34-35H,4-7,9,11,20,22H2,1-3H3,(H,37,41)(H,38,42)(H,36,39,43);10-17,19-20,34H,4-9,18,21H2,1-3H3,(H,35,40)(H,37,41)(H,36,38,42);11-16,18-20,32H,4-10,17H2,1-3H3,(H,34,36)(H,33,35,37);1H4/b36-32-;35-28-,36-31-;34-28-,35-31-;34-30-;;
InChIKeyHONBRYHBZWXISQ-CXGLOKRMSA-N
MW3139.47 g/mol
LogP28.83
Rot. Bonds79

About N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(octylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]benzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[2-[8-(methylamino)octyl]-4-methylsulfonylbenzoyl]amino]benzamide;methane;methyl 8-[[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenoxy]acetyl]amino]octanimidate;methyl 8-[[2-[4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-3-(pyridin-2-ylcarbamoyl)phenoxy]acetyl]amino]octanimidate

N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(octylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]benzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[2-[8-(methylamino)octyl]-4-methylsulfonylbenzoyl]amino]benzamide;methane;methyl 8-[[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenoxy]acetyl]amino]octanimidate;methyl 8-[[2-[4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-3-(pyridin-2-ylcarbamoyl)phenoxy]acetyl]amino]octanimidate (PubChem CID 158540996) has the molecular formula C163H202Cl4N30O24S and a molecular weight of 3139.47 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(octylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]benzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[2-[8-(methylamino)octyl]-4-methylsulfonylbenzoyl]amino]benzamide;methane;methyl 8-[[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenoxy]acetyl]amino]octanimidate;methyl 8-[[2-[4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-3-(pyridin-2-ylcarbamoyl)phenoxy]acetyl]amino]octanimidate.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(octylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]benzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[2-[8-(methylamino)octyl]-4-methylsulfonylbenzoyl]amino]benzamide;methane;methyl 8-[[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenoxy]acetyl]amino]octanimidate;methyl 8-[[2-[4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-3-(pyridin-2-ylcarbamoyl)phenoxy]acetyl]amino]octanimidate
PubChem CID158540996
Molecular FormulaC163H202Cl4N30O24S
Molecular Weight3139.47 g/mol
Exact Mass3135.40
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(octylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]benzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[2-[8-(methylamino)octyl]-4-methylsulfonylbenzoyl]amino]benzamide;methane;methyl 8-[[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenoxy]acetyl]amino]octanimidate;methyl 8-[[2-[4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-3-(pyridin-2-ylcarbamoyl)phenoxy]acetyl]amino]octanimidate
SMILESC.CNCCCCCCCCc1cc(S(C)(=O)=O)ccc1C(=O)Nc1ccc(OC)cc1C(=O)Nc1ccc(Cl)cn1.[H]/N=C(/CCCCCCCNC(=O)COc1ccc(NC(=O)c2ccc(/C(=N/[H])N(C)C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1)OC.[H]/N=C(/CCCCCCCNC(=O)COc1ccc(NC(=O)c2ccc(/C(=N/[H])N(C)C)cc2)c(C(=O)Nc2ccccn2)c1)OC.[H]/N=C(/c1ccc(C(=O)Nc2ccc(OCC(=O)NCCCCCCCC(=O)CC)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccc(OCC(=O)NCCCCCCCC)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C
InChIInChI=1S/C34H41ClN6O5.C33H40ClN7O5.C33H41N7O5.C32H39ClN6O4.C30H37ClN4O5S.CH4/c1-4-26(42)10-8-6-5-7-9-19-37-31(43)22-46-27-16-17-29(28(20-27)34(45)40-30-18-15-25(35)21-38-30)39-33(44)24-13-11-23(12-14-24)32(36)41(2)3;1-41(2)31(36)22-10-12-23(13-11-22)32(43)39-27-16-15-25(19-26(27)33(44)40-29-17-14-24(34)20-38-29)46-21-30(42)37-18-8-6-4-5-7-9-28(35)45-3;1-40(2)31(35)23-13-15-24(16-14-23)32(42)38-27-18-17-25(21-26(27)33(43)39-29-12-8-10-19-36-29)45-22-30(41)37-20-9-6-4-5-7-11-28(34)44-3;1-4-5-6-7-8-9-18-35-29(40)21-43-25-15-16-27(26(19-25)32(42)38-28-17-14-24(33)20-36-28)37-31(41)23-12-10-22(11-13-23)30(34)39(2)3;1-32-17-9-7-5-4-6-8-10-21-18-24(41(3,38)39)13-14-25(21)29(36)34-27-15-12-23(40-2)19-26(27)30(37)35-28-16-11-22(31)20-33-28;/h11-18,20-21,36H,4-10,19,22H2,1-3H3,(H,37,43)(H,39,44)(H,38,40,45);10-17,19-20,35-36H,4-9,18,21H2,1-3H3,(H,37,42)(H,39,43)(H,38,40,44);8,10,12-19,21,34-35H,4-7,9,11,20,22H2,1-3H3,(H,37,41)(H,38,42)(H,36,39,43);10-17,19-20,34H,4-9,18,21H2,1-3H3,(H,35,40)(H,37,41)(H,36,38,42);11-16,18-20,32H,4-10,17H2,1-3H3,(H,34,36)(H,33,35,37);1H4/b36-32-;35-28-,36-31-;34-28-,35-31-;34-30-;;
InChIKeyHONBRYHBZWXISQ-CXGLOKRMSA-N
XLogP28.83
TPSA755.76 Ų
H-Bond Donors21
H-Bond Acceptors36
Rotatable Bonds79
Heavy Atoms222
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003139.47
LogP ≤ 528.83
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(octylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]benzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[2-[8-(methylamino)octyl]-4-methylsulfonylbenzoyl]amino]benzamide;methane;methyl 8-[[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenoxy]acetyl]amino]octanimidate;methyl 8-[[2-[4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-3-(pyridin-2-ylcarbamoyl)phenoxy]acetyl]amino]octanimidate with MolForge

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(octylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[2-[7-(methylamino)heptylamino]-4-methylsulfonylbenzoyl]amino]benzamide;methane;methyl 8-[[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenoxy]acetyl]amino]octanimidate;methyl 8-[[2-[4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-3-(pyridin-2-ylcarbamoyl)phenoxy]acetyl]amino]octanimidate
CID 157411435
N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]-N-pyridin-2-ylbenzamide
CID 157486492
1-[3-(3-acetylphenyl)phenyl]-N-(3,5-dichloro-4-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxamide;1-[3-(3-acetylphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide;1-[3-(3-ethoxyphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide;1-[3-(4-methylsulfanylphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 157634550
CID 157700926
CID 157700926
5-[2-(butylamino)-2-oxoethoxy]-N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide;5-[2-(butylamino)-2-oxoethoxy]-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-N-pyridin-2-ylbenzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-heptoxy-N-pyridin-2-ylbenzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-pentoxy-N-pyridin-2-ylbenzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-propoxy-N-pyridin-2-ylbenzamide
CID 157701061
N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[2-[7-(methylamino)heptylamino]-4-methylsulfonylbenzoyl]amino]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(octylamino)-2-oxoethoxy]-N-pyridin-2-ylbenzamide
CID 157821955
5-chloro-2-N-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-2-methylphenyl]-N-methylbenzamide;2-[4-[6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-5-propan-2-yloxy-3-pyridinyl]piperidin-1-yl]ethanol;methyl 4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-5-methoxy-2-methylphenyl]benzoate
CID 158165494
N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(octylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[2-[7-(methylamino)heptylamino]-4-methylsulfonylbenzoyl]amino]benzamide;methyl 8-[[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenoxy]acetyl]amino]octanimidate;methyl 8-[[2-[4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-3-(pyridin-2-ylcarbamoyl)phenoxy]acetyl]amino]octanimidate
CID 158391434
5-[2-(6-aminohexylamino)-2-oxoethoxy]-N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide;methyl 8-[[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenoxy]acetyl]amino]octanimidate;methyl cyanate
CID 158685646
CID 158831832
CID 158831832
2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[2-(7-aminoheptylamino)-4-methylsulfonylbenzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methylbenzamide;2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(8-aminooctanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(5-aminopentanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide
CID 159032496
N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(heptylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(hexylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(pentylamino)ethoxy]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(heptylamino)-2-oxoethoxy]-N-pyridin-2-ylbenzamide
CID 159718899

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(octylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]benzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[2-[8-(methylamino)octyl]-4-methylsulfonylbenzoyl]amino]benzamide;methane;methyl 8-[[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenoxy]acetyl]amino]octanimidate;methyl 8-[[2-[4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-3-(pyridin-2-ylcarbamoyl)phenoxy]acetyl]amino]octanimidate?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(octylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]benzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[2-[8-(methylamino)octyl]-4-methylsulfonylbenzoyl]amino]benzamide;methane;methyl 8-[[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenoxy]acetyl]amino]octanimidate;methyl 8-[[2-[4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-3-(pyridin-2-ylcarbamoyl)phenoxy]acetyl]amino]octanimidate (CID 158540996) is N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(octylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]benzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[2-[8-(methylamino)octyl]-4-methylsulfonylbenzoyl]amino]benzamide;methane;methyl 8-[[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenoxy]acetyl]amino]octanimidate;methyl 8-[[2-[4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-3-(pyridin-2-ylcarbamoyl)phenoxy]acetyl]amino]octanimidate.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(octylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]benzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[2-[8-(methylamino)octyl]-4-methylsulfonylbenzoyl]amino]benzamide;methane;methyl 8-[[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenoxy]acetyl]amino]octanimidate;methyl 8-[[2-[4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-3-(pyridin-2-ylcarbamoyl)phenoxy]acetyl]amino]octanimidate?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(octylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]benzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[2-[8-(methylamino)octyl]-4-methylsulfonylbenzoyl]amino]benzamide;methane;methyl 8-[[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenoxy]acetyl]amino]octanimidate;methyl 8-[[2-[4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-3-(pyridin-2-ylcarbamoyl)phenoxy]acetyl]amino]octanimidate is C.CNCCCCCCCCc1cc(S(C)(=O)=O)ccc1C(=O)Nc1ccc(OC)cc1C(=O)Nc1ccc(Cl)cn1.[H]/N=C(/CCCCCCCNC(=O)COc1ccc(NC(=O)c2ccc(/C(=N/[H])N(C)C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1)OC.[H]/N=C(/CCCCCCCNC(=O)COc1ccc(NC(=O)c2ccc(/C(=N/[H])N(C)C)cc2)c(C(=O)Nc2ccccn2)c1)OC.[H]/N=C(/c1ccc(C(=O)Nc2ccc(OCC(=O)NCCCCCCCC(=O)CC)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccc(OCC(=O)NCCCCCCCC)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(octylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]benzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[2-[8-(methylamino)octyl]-4-methylsulfonylbenzoyl]amino]benzamide;methane;methyl 8-[[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenoxy]acetyl]amino]octanimidate;methyl 8-[[2-[4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-3-(pyridin-2-ylcarbamoyl)phenoxy]acetyl]amino]octanimidate?
The InChIKey is HONBRYHBZWXISQ-CXGLOKRMSA-N. The full InChI is InChI=1S/C34H41ClN6O5.C33H40ClN7O5.C33H41N7O5.C32H39ClN6O4.C30H37ClN4O5S.CH4/c1-4-26(42)10-8-6-5-7-9-19-37-31(43)22-46-27-16-17-29(28(20-27)34(45)40-30-18-15-25(35)21-38-30)39-33(44)24-13-11-23(12-14-24)32(36)41(2)3;1-41(2)31(36)22-10-12-23(13-11-22)32(43)39-27-16-15-25(19-26(27)33(44)40-29-17-14-24(34)20-38-29)46-21-30(42)37-18-8-6-4-5-7-9-28(35)45-3;1-40(2)31(35)23-13-15-24(16-14-23)32(42)38-27-18-17-25(21-26(27)33(43)39-29-12-8-10-19-36-29)45-22-30(41)37-20-9-6-4-5-7-11-28(34)44-3;1-4-5-6-7-8-9-18-35-29(40)21-43-25-15-16-27(26(19-25)32(42)38-28-17-14-24(33)20-36-28)37-31(41)23-12-10-22(11-13-23)30(34)39(2)3;1-32-17-9-7-5-4-6-8-10-21-18-24(41(3,38)39)13-14-25(21)29(36)34-27-15-12-23(40-2)19-26(27)30(37)35-28-16-11-22(31)20-33-28;/h11-18,20-21,36H,4-10,19,22H2,1-3H3,(H,37,43)(H,39,44)(H,38,40,45);10-17,19-20,35-36H,4-9,18,21H2,1-3H3,(H,37,42)(H,39,43)(H,38,40,44);8,10,12-19,21,34-35H,4-7,9,11,20,22H2,1-3H3,(H,37,41)(H,38,42)(H,36,39,43);10-17,19-20,34H,4-9,18,21H2,1-3H3,(H,35,40)(H,37,41)(H,36,38,42);11-16,18-20,32H,4-10,17H2,1-3H3,(H,34,36)(H,33,35,37);1H4/b36-32-;35-28-,36-31-;34-28-,35-31-;34-30-;;.
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(octylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]benzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[2-[8-(methylamino)octyl]-4-methylsulfonylbenzoyl]amino]benzamide;methane;methyl 8-[[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenoxy]acetyl]amino]octanimidate;methyl 8-[[2-[4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-3-(pyridin-2-ylcarbamoyl)phenoxy]acetyl]amino]octanimidate?
N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(octylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]benzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[2-[8-(methylamino)octyl]-4-methylsulfonylbenzoyl]amino]benzamide;methane;methyl 8-[[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenoxy]acetyl]amino]octanimidate;methyl 8-[[2-[4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-3-(pyridin-2-ylcarbamoyl)phenoxy]acetyl]amino]octanimidate has a molecular weight of 3139.47 g/mol, XLogP of 28.83, 79 rotatable bonds, 21 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(octylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]benzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[2-[8-(methylamino)octyl]-4-methylsulfonylbenzoyl]amino]benzamide;methane;methyl 8-[[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenoxy]acetyl]amino]octanimidate;methyl 8-[[2-[4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-3-(pyridin-2-ylcarbamoyl)phenoxy]acetyl]amino]octanimidate is sourced from PubChem (CID 158540996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).