acetylene;tert-butyl N-[6-[[2-[4-amino-3-(pyridin-2-ylcarbamoyl)phenoxy]acetyl]amino]hexyl]carbamate;tert-butyl N-[6-[[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetyl]amino]hexyl]carbamate;but-2-yne;2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetic acid;N-(5-chloro-2-pyridinyl)-5-hydroxy-2-nitrobenzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-nitrobenzamide;4-(N,N-dimethylcarbamimidoyl)benzoic acid;hexa-1,3,5-triyne;methane;methyl 2-bromoacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetate;penta-1,3-diyne;prop-1-yne

C138H146BrCl5N24O36 — CID 159049156

IUPACacetylene;tert-butyl N-[6-[[2-[4-amino-3-(pyridin-2-ylcarbamoyl)phenoxy]acetyl]amino]hexyl]carbamate;tert-butyl N-[6-[[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetyl]amino]hexyl]carbamate;but-2-yne;2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetic acid;N-(5-chloro-2-pyridinyl)-5-hydroxy-2-nitrobenzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-nitrobenzamide;4-(N,N-dimethylcarbamimidoyl)benzoic acid;hexa-1,3,5-triyne;methane;methyl 2-bromoacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetate;penta-1,3-diyne;prop-1-yne
SMILESC.C#C.C#CC.C#CC#CC.C#CC#CC#C.CC#CC.CC(C)(C)OC(=O)NCCCCCCNC(=O)COc1ccc(N)c(C(=O)Nc2ccccn2)c1.CC(C)(C)OC(=O)NCCCCCCNC(=O)COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cn2)c1.COC(=O)CBr.COC(=O)COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cn2)c1.COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cn2)c1.O=C(Nc1ccc(Cl)cn1)c1cc(O)ccc1[N+](=O)[O-].O=C(O)COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cn2)c1.[H]/N=C(/c1ccc(C(=O)O)cc1)N(C)C
InChIInChI=1S/C25H32ClN5O7.C25H35N5O5.C15H12ClN3O6.C14H10ClN3O6.C13H10ClN3O4.C12H8ClN3O4.C10H12N2O2.C6H2.C5H4.C4H6.C3H5BrO2.C3H4.C2H2.CH4/c1-25(2,3)38-24(34)28-13-7-5-4-6-12-27-22(32)16-37-18-9-10-20(31(35)36)19(14-18)23(33)30-21-11-8-17(26)15-29-21;1-25(2,3)35-24(33)29-15-8-5-4-7-14-28-22(31)17-34-18-11-12-20(26)19(16-18)23(32)30-21-10-6-9-13-27-21;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;15-8-1-4-12(16-6-8)17-14(21)10-5-9(24-7-13(19)20)2-3-11(10)18(22)23;1-21-9-3-4-11(17(19)20)10(6-9)13(18)16-12-5-2-8(14)7-15-12;13-7-1-4-11(14-6-7)15-12(18)9-5-8(17)2-3-10(9)16(19)20;1-12(2)9(11)7-3-5-8(6-4-7)10(13)14;1-3-5-6-4-2;1-3-5-4-2;1-3-4-2;1-6-3(5)2-4;1-3-2;1-2;/h8-11,14-15H,4-7,12-13,16H2,1-3H3,(H,27,32)(H,28,34)(H,29,30,33);6,9-13,16H,4-5,7-8,14-15,17,26H2,1-3H3,(H,28,31)(H,29,33)(H,27,30,32);2-7H,8H2,1H3,(H,17,18,21);1-6H,7H2,(H,19,20)(H,16,17,21);2-7H,1H3,(H,15,16,18);1-6,17H,(H,14,15,18);3-6,11H,1-2H3,(H,13,14);1-2H;1H,2H3;1-2H3;2H2,1H3;1H,2H3;1-2H;1H4/b;;;;;;11-9-;;;;;;;
InChIKeyJXASTZTVKGXMCH-ZEWFMHFTSA-N
MW2973.99 g/mol
LogP23.56
Rot. Bonds47

About acetylene;tert-butyl N-[6-[[2-[4-amino-3-(pyridin-2-ylcarbamoyl)phenoxy]acetyl]amino]hexyl]carbamate;tert-butyl N-[6-[[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetyl]amino]hexyl]carbamate;but-2-yne;2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetic acid;N-(5-chloro-2-pyridinyl)-5-hydroxy-2-nitrobenzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-nitrobenzamide;4-(N,N-dimethylcarbamimidoyl)benzoic acid;hexa-1,3,5-triyne;methane;methyl 2-bromoacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetate;penta-1,3-diyne;prop-1-yne

acetylene;tert-butyl N-[6-[[2-[4-amino-3-(pyridin-2-ylcarbamoyl)phenoxy]acetyl]amino]hexyl]carbamate;tert-butyl N-[6-[[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetyl]amino]hexyl]carbamate;but-2-yne;2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetic acid;N-(5-chloro-2-pyridinyl)-5-hydroxy-2-nitrobenzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-nitrobenzamide;4-(N,N-dimethylcarbamimidoyl)benzoic acid;hexa-1,3,5-triyne;methane;methyl 2-bromoacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetate;penta-1,3-diyne;prop-1-yne (PubChem CID 159049156) has the molecular formula C138H146BrCl5N24O36 and a molecular weight of 2973.99 g/mol. Its IUPAC name is acetylene;tert-butyl N-[6-[[2-[4-amino-3-(pyridin-2-ylcarbamoyl)phenoxy]acetyl]amino]hexyl]carbamate;tert-butyl N-[6-[[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetyl]amino]hexyl]carbamate;but-2-yne;2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetic acid;N-(5-chloro-2-pyridinyl)-5-hydroxy-2-nitrobenzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-nitrobenzamide;4-(N,N-dimethylcarbamimidoyl)benzoic acid;hexa-1,3,5-triyne;methane;methyl 2-bromoacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetate;penta-1,3-diyne;prop-1-yne.

Molecular Properties

Compound Nameacetylene;tert-butyl N-[6-[[2-[4-amino-3-(pyridin-2-ylcarbamoyl)phenoxy]acetyl]amino]hexyl]carbamate;tert-butyl N-[6-[[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetyl]amino]hexyl]carbamate;but-2-yne;2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetic acid;N-(5-chloro-2-pyridinyl)-5-hydroxy-2-nitrobenzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-nitrobenzamide;4-(N,N-dimethylcarbamimidoyl)benzoic acid;hexa-1,3,5-triyne;methane;methyl 2-bromoacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetate;penta-1,3-diyne;prop-1-yne
PubChem CID159049156
Molecular FormulaC138H146BrCl5N24O36
Molecular Weight2973.99 g/mol
Exact Mass2968.80
IUPAC Nameacetylene;tert-butyl N-[6-[[2-[4-amino-3-(pyridin-2-ylcarbamoyl)phenoxy]acetyl]amino]hexyl]carbamate;tert-butyl N-[6-[[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetyl]amino]hexyl]carbamate;but-2-yne;2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetic acid;N-(5-chloro-2-pyridinyl)-5-hydroxy-2-nitrobenzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-nitrobenzamide;4-(N,N-dimethylcarbamimidoyl)benzoic acid;hexa-1,3,5-triyne;methane;methyl 2-bromoacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetate;penta-1,3-diyne;prop-1-yne
SMILESC.C#C.C#CC.C#CC#CC.C#CC#CC#C.CC#CC.CC(C)(C)OC(=O)NCCCCCCNC(=O)COc1ccc(N)c(C(=O)Nc2ccccn2)c1.CC(C)(C)OC(=O)NCCCCCCNC(=O)COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cn2)c1.COC(=O)CBr.COC(=O)COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cn2)c1.COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cn2)c1.O=C(Nc1ccc(Cl)cn1)c1cc(O)ccc1[N+](=O)[O-].O=C(O)COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cn2)c1.[H]/N=C(/c1ccc(C(=O)O)cc1)N(C)C
InChIInChI=1S/C25H32ClN5O7.C25H35N5O5.C15H12ClN3O6.C14H10ClN3O6.C13H10ClN3O4.C12H8ClN3O4.C10H12N2O2.C6H2.C5H4.C4H6.C3H5BrO2.C3H4.C2H2.CH4/c1-25(2,3)38-24(34)28-13-7-5-4-6-12-27-22(32)16-37-18-9-10-20(31(35)36)19(14-18)23(33)30-21-11-8-17(26)15-29-21;1-25(2,3)35-24(33)29-15-8-5-4-7-14-28-22(31)17-34-18-11-12-20(26)19(16-18)23(32)30-21-10-6-9-13-27-21;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;15-8-1-4-12(16-6-8)17-14(21)10-5-9(24-7-13(19)20)2-3-11(10)18(22)23;1-21-9-3-4-11(17(19)20)10(6-9)13(18)16-12-5-2-8(14)7-15-12;13-7-1-4-11(14-6-7)15-12(18)9-5-8(17)2-3-10(9)16(19)20;1-12(2)9(11)7-3-5-8(6-4-7)10(13)14;1-3-5-6-4-2;1-3-5-4-2;1-3-4-2;1-6-3(5)2-4;1-3-2;1-2;/h8-11,14-15H,4-7,12-13,16H2,1-3H3,(H,27,32)(H,28,34)(H,29,30,33);6,9-13,16H,4-5,7-8,14-15,17,26H2,1-3H3,(H,28,31)(H,29,33)(H,27,30,32);2-7H,8H2,1H3,(H,17,18,21);1-6H,7H2,(H,19,20)(H,16,17,21);2-7H,1H3,(H,15,16,18);1-6,17H,(H,14,15,18);3-6,11H,1-2H3,(H,13,14);1-2H;1H,2H3;1-2H3;2H2,1H3;1H,2H3;1-2H;1H4/b;;;;;;11-9-;;;;;;;
InChIKeyJXASTZTVKGXMCH-ZEWFMHFTSA-N
XLogP23.56
TPSA849.19 Ų
H-Bond Donors15
H-Bond Acceptors42
Rotatable Bonds47
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002973.99
LogP ≤ 523.56
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze acetylene;tert-butyl N-[6-[[2-[4-amino-3-(pyridin-2-ylcarbamoyl)phenoxy]acetyl]amino]hexyl]carbamate;tert-butyl N-[6-[[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetyl]amino]hexyl]carbamate;but-2-yne;2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetic acid;N-(5-chloro-2-pyridinyl)-5-hydroxy-2-nitrobenzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-nitrobenzamide;4-(N,N-dimethylcarbamimidoyl)benzoic acid;hexa-1,3,5-triyne;methane;methyl 2-bromoacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetate;penta-1,3-diyne;prop-1-yne 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
CID 157411436
N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-[6-(2,2,4-trimethylpentanoylamino)hexylamino]ethoxy]benzamide
CID 129106452
N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]benzamide
CID 147045425
2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]-N-pyridin-2-ylbenzamide
CID 157486493
N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methoxybenzamide;(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 16718249
N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)phenyl]methylamino]-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methylamino]benzamide
CID 161008660
5-[2-(6-aminohexylamino)-2-oxoethoxy]-N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-6-methylcyclohexa-2,4-diene-1-carboxamide
CID 144662894
2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-pentoxy-N-pyridin-2-ylbenzamide
CID 90265466
lithium;N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methoxybenzamide;dimethylazanide;oxolane;hydrochloride;hydrofluoride;hydroiodide
CID 162199745
N-(5-chloro-2-pyridinyl)-5-(hydroxymethyl)-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(hydroxymethyl)-N-pyridin-2-ylbenzamide
CID 160503015
methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetate
CID 21021794
5-chloro-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-N-(5-ethynyl-2-pyridinyl)-3-methoxybenzamide;ethane
CID 142175077

Frequently Asked Questions

What is the IUPAC name of acetylene;tert-butyl N-[6-[[2-[4-amino-3-(pyridin-2-ylcarbamoyl)phenoxy]acetyl]amino]hexyl]carbamate;tert-butyl N-[6-[[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetyl]amino]hexyl]carbamate;but-2-yne;2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetic acid;N-(5-chloro-2-pyridinyl)-5-hydroxy-2-nitrobenzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-nitrobenzamide;4-(N,N-dimethylcarbamimidoyl)benzoic acid;hexa-1,3,5-triyne;methane;methyl 2-bromoacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetate;penta-1,3-diyne;prop-1-yne?
The IUPAC name of acetylene;tert-butyl N-[6-[[2-[4-amino-3-(pyridin-2-ylcarbamoyl)phenoxy]acetyl]amino]hexyl]carbamate;tert-butyl N-[6-[[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetyl]amino]hexyl]carbamate;but-2-yne;2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetic acid;N-(5-chloro-2-pyridinyl)-5-hydroxy-2-nitrobenzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-nitrobenzamide;4-(N,N-dimethylcarbamimidoyl)benzoic acid;hexa-1,3,5-triyne;methane;methyl 2-bromoacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetate;penta-1,3-diyne;prop-1-yne (CID 159049156) is acetylene;tert-butyl N-[6-[[2-[4-amino-3-(pyridin-2-ylcarbamoyl)phenoxy]acetyl]amino]hexyl]carbamate;tert-butyl N-[6-[[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetyl]amino]hexyl]carbamate;but-2-yne;2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetic acid;N-(5-chloro-2-pyridinyl)-5-hydroxy-2-nitrobenzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-nitrobenzamide;4-(N,N-dimethylcarbamimidoyl)benzoic acid;hexa-1,3,5-triyne;methane;methyl 2-bromoacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetate;penta-1,3-diyne;prop-1-yne.
What is the SMILES notation for acetylene;tert-butyl N-[6-[[2-[4-amino-3-(pyridin-2-ylcarbamoyl)phenoxy]acetyl]amino]hexyl]carbamate;tert-butyl N-[6-[[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetyl]amino]hexyl]carbamate;but-2-yne;2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetic acid;N-(5-chloro-2-pyridinyl)-5-hydroxy-2-nitrobenzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-nitrobenzamide;4-(N,N-dimethylcarbamimidoyl)benzoic acid;hexa-1,3,5-triyne;methane;methyl 2-bromoacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetate;penta-1,3-diyne;prop-1-yne?
The canonical SMILES for acetylene;tert-butyl N-[6-[[2-[4-amino-3-(pyridin-2-ylcarbamoyl)phenoxy]acetyl]amino]hexyl]carbamate;tert-butyl N-[6-[[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetyl]amino]hexyl]carbamate;but-2-yne;2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetic acid;N-(5-chloro-2-pyridinyl)-5-hydroxy-2-nitrobenzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-nitrobenzamide;4-(N,N-dimethylcarbamimidoyl)benzoic acid;hexa-1,3,5-triyne;methane;methyl 2-bromoacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetate;penta-1,3-diyne;prop-1-yne is C.C#C.C#CC.C#CC#CC.C#CC#CC#C.CC#CC.CC(C)(C)OC(=O)NCCCCCCNC(=O)COc1ccc(N)c(C(=O)Nc2ccccn2)c1.CC(C)(C)OC(=O)NCCCCCCNC(=O)COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cn2)c1.COC(=O)CBr.COC(=O)COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cn2)c1.COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cn2)c1.O=C(Nc1ccc(Cl)cn1)c1cc(O)ccc1[N+](=O)[O-].O=C(O)COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cn2)c1.[H]/N=C(/c1ccc(C(=O)O)cc1)N(C)C.
What is the InChIKey of acetylene;tert-butyl N-[6-[[2-[4-amino-3-(pyridin-2-ylcarbamoyl)phenoxy]acetyl]amino]hexyl]carbamate;tert-butyl N-[6-[[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetyl]amino]hexyl]carbamate;but-2-yne;2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetic acid;N-(5-chloro-2-pyridinyl)-5-hydroxy-2-nitrobenzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-nitrobenzamide;4-(N,N-dimethylcarbamimidoyl)benzoic acid;hexa-1,3,5-triyne;methane;methyl 2-bromoacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetate;penta-1,3-diyne;prop-1-yne?
The InChIKey is JXASTZTVKGXMCH-ZEWFMHFTSA-N. The full InChI is InChI=1S/C25H32ClN5O7.C25H35N5O5.C15H12ClN3O6.C14H10ClN3O6.C13H10ClN3O4.C12H8ClN3O4.C10H12N2O2.C6H2.C5H4.C4H6.C3H5BrO2.C3H4.C2H2.CH4/c1-25(2,3)38-24(34)28-13-7-5-4-6-12-27-22(32)16-37-18-9-10-20(31(35)36)19(14-18)23(33)30-21-11-8-17(26)15-29-21;1-25(2,3)35-24(33)29-15-8-5-4-7-14-28-22(31)17-34-18-11-12-20(26)19(16-18)23(32)30-21-10-6-9-13-27-21;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;15-8-1-4-12(16-6-8)17-14(21)10-5-9(24-7-13(19)20)2-3-11(10)18(22)23;1-21-9-3-4-11(17(19)20)10(6-9)13(18)16-12-5-2-8(14)7-15-12;13-7-1-4-11(14-6-7)15-12(18)9-5-8(17)2-3-10(9)16(19)20;1-12(2)9(11)7-3-5-8(6-4-7)10(13)14;1-3-5-6-4-2;1-3-5-4-2;1-3-4-2;1-6-3(5)2-4;1-3-2;1-2;/h8-11,14-15H,4-7,12-13,16H2,1-3H3,(H,27,32)(H,28,34)(H,29,30,33);6,9-13,16H,4-5,7-8,14-15,17,26H2,1-3H3,(H,28,31)(H,29,33)(H,27,30,32);2-7H,8H2,1H3,(H,17,18,21);1-6H,7H2,(H,19,20)(H,16,17,21);2-7H,1H3,(H,15,16,18);1-6,17H,(H,14,15,18);3-6,11H,1-2H3,(H,13,14);1-2H;1H,2H3;1-2H3;2H2,1H3;1H,2H3;1-2H;1H4/b;;;;;;11-9-;;;;;;;.
What are the key properties of acetylene;tert-butyl N-[6-[[2-[4-amino-3-(pyridin-2-ylcarbamoyl)phenoxy]acetyl]amino]hexyl]carbamate;tert-butyl N-[6-[[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetyl]amino]hexyl]carbamate;but-2-yne;2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetic acid;N-(5-chloro-2-pyridinyl)-5-hydroxy-2-nitrobenzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-nitrobenzamide;4-(N,N-dimethylcarbamimidoyl)benzoic acid;hexa-1,3,5-triyne;methane;methyl 2-bromoacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetate;penta-1,3-diyne;prop-1-yne?
acetylene;tert-butyl N-[6-[[2-[4-amino-3-(pyridin-2-ylcarbamoyl)phenoxy]acetyl]amino]hexyl]carbamate;tert-butyl N-[6-[[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetyl]amino]hexyl]carbamate;but-2-yne;2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetic acid;N-(5-chloro-2-pyridinyl)-5-hydroxy-2-nitrobenzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-nitrobenzamide;4-(N,N-dimethylcarbamimidoyl)benzoic acid;hexa-1,3,5-triyne;methane;methyl 2-bromoacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetate;penta-1,3-diyne;prop-1-yne has a molecular weight of 2973.99 g/mol, XLogP of 23.56, 47 rotatable bonds, 15 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;tert-butyl N-[6-[[2-[4-amino-3-(pyridin-2-ylcarbamoyl)phenoxy]acetyl]amino]hexyl]carbamate;tert-butyl N-[6-[[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetyl]amino]hexyl]carbamate;but-2-yne;2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetic acid;N-(5-chloro-2-pyridinyl)-5-hydroxy-2-nitrobenzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-nitrobenzamide;4-(N,N-dimethylcarbamimidoyl)benzoic acid;hexa-1,3,5-triyne;methane;methyl 2-bromoacetate;methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-nitrophenoxy]acetate;penta-1,3-diyne;prop-1-yne is sourced from PubChem (CID 159049156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).