lithium;sodium;azane;5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]pyridine-3-carboxylic acid;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[(3-bromo-5-carbamoyl-2-pyridinyl)amino]butyl]carbamate;tert-butyl N-[4-(6-carbamoyl-2-imino-[1,3]thiazolo[4,5-b]pyridin-3-yl)butyl]carbamate;tert-butyl N-[4-[(5-carbamoyl-3-sulfanyl-2-pyridinyl)amino]butyl]carbamate;carbononitridic bromide;ethanolate;methane;methyl 5-bromo-6-chloropyridine-3-carboxylate;methyl 5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]pyridine-3-carboxylate;methyl 3-[[5-carbamoyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-3-pyridinyl]sulfanyl]propanoate;methyl 3-sulfanylpropanoate;hydroxide;hydrochloride

C120H193Br5Cl2LiN28NaO30S4 — CID 163519639

IUPAClithium;sodium;azane;5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]pyridine-3-carboxylic acid;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[(3-bromo-5-carbamoyl-2-pyridinyl)amino]butyl]carbamate;tert-butyl N-[4-(6-carbamoyl-2-imino-[1,3]thiazolo[4,5-b]pyridin-3-yl)butyl]carbamate;tert-butyl N-[4-[(5-carbamoyl-3-sulfanyl-2-pyridinyl)amino]butyl]carbamate;carbononitridic bromide;ethanolate;methane;methyl 5-bromo-6-chloropyridine-3-carboxylate;methyl 5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]pyridine-3-carboxylate;methyl 3-[[5-carbamoyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-3-pyridinyl]sulfanyl]propanoate;methyl 3-sulfanylpropanoate;hydroxide;hydrochloride
SMILESC.CC(C)(C)OC(=O)NCCCCN.CC(C)(C)OC(=O)NCCCCNc1ncc(C(=O)O)cc1Br.CC(C)(C)OC(=O)NCCCCNc1ncc(C(N)=O)cc1Br.CC(C)(C)OC(=O)NCCCCNc1ncc(C(N)=O)cc1S.CC[O-].COC(=O)CCS.COC(=O)CCSc1cc(C(N)=O)cnc1NCCCCNC(=O)OC(C)(C)C.COC(=O)c1cnc(Cl)c(Br)c1.COC(=O)c1cnc(NCCCCNC(=O)OC(C)(C)C)c(Br)c1.Cl.N.N#CBr.[H]/N=c1\sc2cc(C(N)=O)cnc2n1CCCCNC(=O)OC(C)(C)C.[Li+].[Na+].[OH-]
InChIInChI=1S/C19H30N4O5S.C16H24BrN3O4.C16H23N5O3S.C15H23BrN4O3.C15H22BrN3O4.C15H24N4O3S.C9H20N2O2.C7H5BrClNO2.C4H8O2S.C2H5O.CBrN.CH4.ClH.Li.H3N.Na.H2O/c1-19(2,3)28-18(26)22-9-6-5-8-21-17-14(29-10-7-15(24)27-4)11-13(12-23-17)16(20)25;1-16(2,3)24-15(22)19-8-6-5-7-18-13-12(17)9-11(10-20-13)14(21)23-4;1-16(2,3)24-15(23)19-6-4-5-7-21-13-11(25-14(21)18)8-10(9-20-13)12(17)22;1-15(2,3)23-14(22)19-7-5-4-6-18-13-11(16)8-10(9-20-13)12(17)21;1-15(2,3)23-14(22)18-7-5-4-6-17-12-11(16)8-10(9-19-12)13(20)21;1-15(2,3)22-14(21)18-7-5-4-6-17-13-11(23)8-10(9-19-13)12(16)20;1-9(2,3)13-8(12)11-7-5-4-6-10;1-12-7(11)4-2-5(8)6(9)10-3-4;1-6-4(5)2-3-7;1-2-3;2-1-3;;;;;;/h11-12H,5-10H2,1-4H3,(H2,20,25)(H,21,23)(H,22,26);9-10H,5-8H2,1-4H3,(H,18,20)(H,19,22);8-9,18H,4-7H2,1-3H3,(H2,17,22)(H,19,23);8-9H,4-7H2,1-3H3,(H2,17,21)(H,18,20)(H,19,22);8-9H,4-7H2,1-3H3,(H,17,19)(H,18,22)(H,20,21);8-9,23H,4-7H2,1-3H3,(H2,16,20)(H,17,19)(H,18,21);4-7,10H2,1-3H3,(H,11,12);2-3H,1H3;7H,2-3H2,1H3;2H2,1H3;;1H4;1H;;1H3;;1H2/q;;;;;;;;;-1;;;;+1;;+1;/p-1/b;;18-14-;;;;;;;;;;;;;;
InChIKeyIICBQJHVXVVDRJ-DUVANDJESA-M
MW3136.65 g/mol
LogP15.28
Rot. Bonds52

About lithium;sodium;azane;5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]pyridine-3-carboxylic acid;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[(3-bromo-5-carbamoyl-2-pyridinyl)amino]butyl]carbamate;tert-butyl N-[4-(6-carbamoyl-2-imino-[1,3]thiazolo[4,5-b]pyridin-3-yl)butyl]carbamate;tert-butyl N-[4-[(5-carbamoyl-3-sulfanyl-2-pyridinyl)amino]butyl]carbamate;carbononitridic bromide;ethanolate;methane;methyl 5-bromo-6-chloropyridine-3-carboxylate;methyl 5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]pyridine-3-carboxylate;methyl 3-[[5-carbamoyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-3-pyridinyl]sulfanyl]propanoate;methyl 3-sulfanylpropanoate;hydroxide;hydrochloride

lithium;sodium;azane;5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]pyridine-3-carboxylic acid;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[(3-bromo-5-carbamoyl-2-pyridinyl)amino]butyl]carbamate;tert-butyl N-[4-(6-carbamoyl-2-imino-[1,3]thiazolo[4,5-b]pyridin-3-yl)butyl]carbamate;tert-butyl N-[4-[(5-carbamoyl-3-sulfanyl-2-pyridinyl)amino]butyl]carbamate;carbononitridic bromide;ethanolate;methane;methyl 5-bromo-6-chloropyridine-3-carboxylate;methyl 5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]pyridine-3-carboxylate;methyl 3-[[5-carbamoyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-3-pyridinyl]sulfanyl]propanoate;methyl 3-sulfanylpropanoate;hydroxide;hydrochloride (PubChem CID 163519639) has the molecular formula C120H193Br5Cl2LiN28NaO30S4 and a molecular weight of 3136.65 g/mol. Its IUPAC name is lithium;sodium;azane;5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]pyridine-3-carboxylic acid;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[(3-bromo-5-carbamoyl-2-pyridinyl)amino]butyl]carbamate;tert-butyl N-[4-(6-carbamoyl-2-imino-[1,3]thiazolo[4,5-b]pyridin-3-yl)butyl]carbamate;tert-butyl N-[4-[(5-carbamoyl-3-sulfanyl-2-pyridinyl)amino]butyl]carbamate;carbononitridic bromide;ethanolate;methane;methyl 5-bromo-6-chloropyridine-3-carboxylate;methyl 5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]pyridine-3-carboxylate;methyl 3-[[5-carbamoyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-3-pyridinyl]sulfanyl]propanoate;methyl 3-sulfanylpropanoate;hydroxide;hydrochloride.

Molecular Properties

Compound Namelithium;sodium;azane;5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]pyridine-3-carboxylic acid;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[(3-bromo-5-carbamoyl-2-pyridinyl)amino]butyl]carbamate;tert-butyl N-[4-(6-carbamoyl-2-imino-[1,3]thiazolo[4,5-b]pyridin-3-yl)butyl]carbamate;tert-butyl N-[4-[(5-carbamoyl-3-sulfanyl-2-pyridinyl)amino]butyl]carbamate;carbononitridic bromide;ethanolate;methane;methyl 5-bromo-6-chloropyridine-3-carboxylate;methyl 5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]pyridine-3-carboxylate;methyl 3-[[5-carbamoyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-3-pyridinyl]sulfanyl]propanoate;methyl 3-sulfanylpropanoate;hydroxide;hydrochloride
PubChem CID163519639
Molecular FormulaC120H193Br5Cl2LiN28NaO30S4
Molecular Weight3136.65 g/mol
Exact Mass3128.87
IUPAC Namelithium;sodium;azane;5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]pyridine-3-carboxylic acid;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[(3-bromo-5-carbamoyl-2-pyridinyl)amino]butyl]carbamate;tert-butyl N-[4-(6-carbamoyl-2-imino-[1,3]thiazolo[4,5-b]pyridin-3-yl)butyl]carbamate;tert-butyl N-[4-[(5-carbamoyl-3-sulfanyl-2-pyridinyl)amino]butyl]carbamate;carbononitridic bromide;ethanolate;methane;methyl 5-bromo-6-chloropyridine-3-carboxylate;methyl 5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]pyridine-3-carboxylate;methyl 3-[[5-carbamoyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-3-pyridinyl]sulfanyl]propanoate;methyl 3-sulfanylpropanoate;hydroxide;hydrochloride
SMILESC.CC(C)(C)OC(=O)NCCCCN.CC(C)(C)OC(=O)NCCCCNc1ncc(C(=O)O)cc1Br.CC(C)(C)OC(=O)NCCCCNc1ncc(C(N)=O)cc1Br.CC(C)(C)OC(=O)NCCCCNc1ncc(C(N)=O)cc1S.CC[O-].COC(=O)CCS.COC(=O)CCSc1cc(C(N)=O)cnc1NCCCCNC(=O)OC(C)(C)C.COC(=O)c1cnc(Cl)c(Br)c1.COC(=O)c1cnc(NCCCCNC(=O)OC(C)(C)C)c(Br)c1.Cl.N.N#CBr.[H]/N=c1\sc2cc(C(N)=O)cnc2n1CCCCNC(=O)OC(C)(C)C.[Li+].[Na+].[OH-]
InChIInChI=1S/C19H30N4O5S.C16H24BrN3O4.C16H23N5O3S.C15H23BrN4O3.C15H22BrN3O4.C15H24N4O3S.C9H20N2O2.C7H5BrClNO2.C4H8O2S.C2H5O.CBrN.CH4.ClH.Li.H3N.Na.H2O/c1-19(2,3)28-18(26)22-9-6-5-8-21-17-14(29-10-7-15(24)27-4)11-13(12-23-17)16(20)25;1-16(2,3)24-15(22)19-8-6-5-7-18-13-12(17)9-11(10-20-13)14(21)23-4;1-16(2,3)24-15(23)19-6-4-5-7-21-13-11(25-14(21)18)8-10(9-20-13)12(17)22;1-15(2,3)23-14(22)19-7-5-4-6-18-13-11(16)8-10(9-20-13)12(17)21;1-15(2,3)23-14(22)18-7-5-4-6-17-12-11(16)8-10(9-19-12)13(20)21;1-15(2,3)22-14(21)18-7-5-4-6-17-13-11(23)8-10(9-19-13)12(16)20;1-9(2,3)13-8(12)11-7-5-4-6-10;1-12-7(11)4-2-5(8)6(9)10-3-4;1-6-4(5)2-3-7;1-2-3;2-1-3;;;;;;/h11-12H,5-10H2,1-4H3,(H2,20,25)(H,21,23)(H,22,26);9-10H,5-8H2,1-4H3,(H,18,20)(H,19,22);8-9,18H,4-7H2,1-3H3,(H2,17,22)(H,19,23);8-9H,4-7H2,1-3H3,(H2,17,21)(H,18,20)(H,19,22);8-9H,4-7H2,1-3H3,(H,17,19)(H,18,22)(H,20,21);8-9,23H,4-7H2,1-3H3,(H2,16,20)(H,17,19)(H,18,21);4-7,10H2,1-3H3,(H,11,12);2-3H,1H3;7H,2-3H2,1H3;2H2,1H3;;1H4;1H;;1H3;;1H2/q;;;;;;;;;-1;;;;+1;;+1;/p-1/b;;18-14-;;;;;;;;;;;;;;
InChIKeyIICBQJHVXVVDRJ-DUVANDJESA-M
XLogP15.28
TPSA900.20 Ų
H-Bond Donors22
H-Bond Acceptors50
Rotatable Bonds52
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003136.65
LogP ≤ 515.28
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze lithium;sodium;azane;5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]pyridine-3-carboxylic acid;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[(3-bromo-5-carbamoyl-2-pyridinyl)amino]butyl]carbamate;tert-butyl N-[4-(6-carbamoyl-2-imino-[1,3]thiazolo[4,5-b]pyridin-3-yl)butyl]carbamate;tert-butyl N-[4-[(5-carbamoyl-3-sulfanyl-2-pyridinyl)amino]butyl]carbamate;carbononitridic bromide;ethanolate;methane;methyl 5-bromo-6-chloropyridine-3-carboxylate;methyl 5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]pyridine-3-carboxylate;methyl 3-[[5-carbamoyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-3-pyridinyl]sulfanyl]propanoate;methyl 3-sulfanylpropanoate;hydroxide;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

lithium;azane;5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]pyridine-3-carboxylic acid;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[(3-bromo-5-carbamoyl-2-pyridinyl)amino]butyl]carbamate;methyl 5-bromo-6-chloropyridine-3-carboxylate;methyl 5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]pyridine-3-carboxylate;methyl 3-sulfanylpropanoate;hydroxide;hydrochloride
CID 159255295

Frequently Asked Questions

What is the IUPAC name of lithium;sodium;azane;5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]pyridine-3-carboxylic acid;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[(3-bromo-5-carbamoyl-2-pyridinyl)amino]butyl]carbamate;tert-butyl N-[4-(6-carbamoyl-2-imino-[1,3]thiazolo[4,5-b]pyridin-3-yl)butyl]carbamate;tert-butyl N-[4-[(5-carbamoyl-3-sulfanyl-2-pyridinyl)amino]butyl]carbamate;carbononitridic bromide;ethanolate;methane;methyl 5-bromo-6-chloropyridine-3-carboxylate;methyl 5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]pyridine-3-carboxylate;methyl 3-[[5-carbamoyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-3-pyridinyl]sulfanyl]propanoate;methyl 3-sulfanylpropanoate;hydroxide;hydrochloride?
The IUPAC name of lithium;sodium;azane;5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]pyridine-3-carboxylic acid;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[(3-bromo-5-carbamoyl-2-pyridinyl)amino]butyl]carbamate;tert-butyl N-[4-(6-carbamoyl-2-imino-[1,3]thiazolo[4,5-b]pyridin-3-yl)butyl]carbamate;tert-butyl N-[4-[(5-carbamoyl-3-sulfanyl-2-pyridinyl)amino]butyl]carbamate;carbononitridic bromide;ethanolate;methane;methyl 5-bromo-6-chloropyridine-3-carboxylate;methyl 5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]pyridine-3-carboxylate;methyl 3-[[5-carbamoyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-3-pyridinyl]sulfanyl]propanoate;methyl 3-sulfanylpropanoate;hydroxide;hydrochloride (CID 163519639) is lithium;sodium;azane;5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]pyridine-3-carboxylic acid;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[(3-bromo-5-carbamoyl-2-pyridinyl)amino]butyl]carbamate;tert-butyl N-[4-(6-carbamoyl-2-imino-[1,3]thiazolo[4,5-b]pyridin-3-yl)butyl]carbamate;tert-butyl N-[4-[(5-carbamoyl-3-sulfanyl-2-pyridinyl)amino]butyl]carbamate;carbononitridic bromide;ethanolate;methane;methyl 5-bromo-6-chloropyridine-3-carboxylate;methyl 5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]pyridine-3-carboxylate;methyl 3-[[5-carbamoyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-3-pyridinyl]sulfanyl]propanoate;methyl 3-sulfanylpropanoate;hydroxide;hydrochloride.
What is the SMILES notation for lithium;sodium;azane;5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]pyridine-3-carboxylic acid;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[(3-bromo-5-carbamoyl-2-pyridinyl)amino]butyl]carbamate;tert-butyl N-[4-(6-carbamoyl-2-imino-[1,3]thiazolo[4,5-b]pyridin-3-yl)butyl]carbamate;tert-butyl N-[4-[(5-carbamoyl-3-sulfanyl-2-pyridinyl)amino]butyl]carbamate;carbononitridic bromide;ethanolate;methane;methyl 5-bromo-6-chloropyridine-3-carboxylate;methyl 5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]pyridine-3-carboxylate;methyl 3-[[5-carbamoyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-3-pyridinyl]sulfanyl]propanoate;methyl 3-sulfanylpropanoate;hydroxide;hydrochloride?
The canonical SMILES for lithium;sodium;azane;5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]pyridine-3-carboxylic acid;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[(3-bromo-5-carbamoyl-2-pyridinyl)amino]butyl]carbamate;tert-butyl N-[4-(6-carbamoyl-2-imino-[1,3]thiazolo[4,5-b]pyridin-3-yl)butyl]carbamate;tert-butyl N-[4-[(5-carbamoyl-3-sulfanyl-2-pyridinyl)amino]butyl]carbamate;carbononitridic bromide;ethanolate;methane;methyl 5-bromo-6-chloropyridine-3-carboxylate;methyl 5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]pyridine-3-carboxylate;methyl 3-[[5-carbamoyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-3-pyridinyl]sulfanyl]propanoate;methyl 3-sulfanylpropanoate;hydroxide;hydrochloride is C.CC(C)(C)OC(=O)NCCCCN.CC(C)(C)OC(=O)NCCCCNc1ncc(C(=O)O)cc1Br.CC(C)(C)OC(=O)NCCCCNc1ncc(C(N)=O)cc1Br.CC(C)(C)OC(=O)NCCCCNc1ncc(C(N)=O)cc1S.CC[O-].COC(=O)CCS.COC(=O)CCSc1cc(C(N)=O)cnc1NCCCCNC(=O)OC(C)(C)C.COC(=O)c1cnc(Cl)c(Br)c1.COC(=O)c1cnc(NCCCCNC(=O)OC(C)(C)C)c(Br)c1.Cl.N.N#CBr.[H]/N=c1\sc2cc(C(N)=O)cnc2n1CCCCNC(=O)OC(C)(C)C.[Li+].[Na+].[OH-].
What is the InChIKey of lithium;sodium;azane;5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]pyridine-3-carboxylic acid;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[(3-bromo-5-carbamoyl-2-pyridinyl)amino]butyl]carbamate;tert-butyl N-[4-(6-carbamoyl-2-imino-[1,3]thiazolo[4,5-b]pyridin-3-yl)butyl]carbamate;tert-butyl N-[4-[(5-carbamoyl-3-sulfanyl-2-pyridinyl)amino]butyl]carbamate;carbononitridic bromide;ethanolate;methane;methyl 5-bromo-6-chloropyridine-3-carboxylate;methyl 5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]pyridine-3-carboxylate;methyl 3-[[5-carbamoyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-3-pyridinyl]sulfanyl]propanoate;methyl 3-sulfanylpropanoate;hydroxide;hydrochloride?
The InChIKey is IICBQJHVXVVDRJ-DUVANDJESA-M. The full InChI is InChI=1S/C19H30N4O5S.C16H24BrN3O4.C16H23N5O3S.C15H23BrN4O3.C15H22BrN3O4.C15H24N4O3S.C9H20N2O2.C7H5BrClNO2.C4H8O2S.C2H5O.CBrN.CH4.ClH.Li.H3N.Na.H2O/c1-19(2,3)28-18(26)22-9-6-5-8-21-17-14(29-10-7-15(24)27-4)11-13(12-23-17)16(20)25;1-16(2,3)24-15(22)19-8-6-5-7-18-13-12(17)9-11(10-20-13)14(21)23-4;1-16(2,3)24-15(23)19-6-4-5-7-21-13-11(25-14(21)18)8-10(9-20-13)12(17)22;1-15(2,3)23-14(22)19-7-5-4-6-18-13-11(16)8-10(9-20-13)12(17)21;1-15(2,3)23-14(22)18-7-5-4-6-17-12-11(16)8-10(9-19-12)13(20)21;1-15(2,3)22-14(21)18-7-5-4-6-17-13-11(23)8-10(9-19-13)12(16)20;1-9(2,3)13-8(12)11-7-5-4-6-10;1-12-7(11)4-2-5(8)6(9)10-3-4;1-6-4(5)2-3-7;1-2-3;2-1-3;;;;;;/h11-12H,5-10H2,1-4H3,(H2,20,25)(H,21,23)(H,22,26);9-10H,5-8H2,1-4H3,(H,18,20)(H,19,22);8-9,18H,4-7H2,1-3H3,(H2,17,22)(H,19,23);8-9H,4-7H2,1-3H3,(H2,17,21)(H,18,20)(H,19,22);8-9H,4-7H2,1-3H3,(H,17,19)(H,18,22)(H,20,21);8-9,23H,4-7H2,1-3H3,(H2,16,20)(H,17,19)(H,18,21);4-7,10H2,1-3H3,(H,11,12);2-3H,1H3;7H,2-3H2,1H3;2H2,1H3;;1H4;1H;;1H3;;1H2/q;;;;;;;;;-1;;;;+1;;+1;/p-1/b;;18-14-;;;;;;;;;;;;;;.
What are the key properties of lithium;sodium;azane;5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]pyridine-3-carboxylic acid;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[(3-bromo-5-carbamoyl-2-pyridinyl)amino]butyl]carbamate;tert-butyl N-[4-(6-carbamoyl-2-imino-[1,3]thiazolo[4,5-b]pyridin-3-yl)butyl]carbamate;tert-butyl N-[4-[(5-carbamoyl-3-sulfanyl-2-pyridinyl)amino]butyl]carbamate;carbononitridic bromide;ethanolate;methane;methyl 5-bromo-6-chloropyridine-3-carboxylate;methyl 5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]pyridine-3-carboxylate;methyl 3-[[5-carbamoyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-3-pyridinyl]sulfanyl]propanoate;methyl 3-sulfanylpropanoate;hydroxide;hydrochloride?
lithium;sodium;azane;5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]pyridine-3-carboxylic acid;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[(3-bromo-5-carbamoyl-2-pyridinyl)amino]butyl]carbamate;tert-butyl N-[4-(6-carbamoyl-2-imino-[1,3]thiazolo[4,5-b]pyridin-3-yl)butyl]carbamate;tert-butyl N-[4-[(5-carbamoyl-3-sulfanyl-2-pyridinyl)amino]butyl]carbamate;carbononitridic bromide;ethanolate;methane;methyl 5-bromo-6-chloropyridine-3-carboxylate;methyl 5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]pyridine-3-carboxylate;methyl 3-[[5-carbamoyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-3-pyridinyl]sulfanyl]propanoate;methyl 3-sulfanylpropanoate;hydroxide;hydrochloride has a molecular weight of 3136.65 g/mol, XLogP of 15.28, 52 rotatable bonds, 22 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;sodium;azane;5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]pyridine-3-carboxylic acid;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[(3-bromo-5-carbamoyl-2-pyridinyl)amino]butyl]carbamate;tert-butyl N-[4-(6-carbamoyl-2-imino-[1,3]thiazolo[4,5-b]pyridin-3-yl)butyl]carbamate;tert-butyl N-[4-[(5-carbamoyl-3-sulfanyl-2-pyridinyl)amino]butyl]carbamate;carbononitridic bromide;ethanolate;methane;methyl 5-bromo-6-chloropyridine-3-carboxylate;methyl 5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]pyridine-3-carboxylate;methyl 3-[[5-carbamoyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-3-pyridinyl]sulfanyl]propanoate;methyl 3-sulfanylpropanoate;hydroxide;hydrochloride is sourced from PubChem (CID 163519639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).