sodium;aminoazaniumylidynemethane;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;ethoxy(ethyl)phosphane;ethyl 3-amino-4-methylbenzoate;ethyl 3-(diaminomethylideneamino)-4-methylbenzoate;ethyl 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoate;formaldehyde;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid;hydroxide

C114H131F3N26NaO13P — CID 158448967

IUPACsodium;aminoazaniumylidynemethane;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;ethoxy(ethyl)phosphane;ethyl 3-amino-4-methylbenzoate;ethyl 3-(diaminomethylideneamino)-4-methylbenzoate;ethyl 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoate;formaldehyde;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid;hydroxide
SMILESC.C.C=O.CCOC(=O)c1ccc(C)c(N)c1.CCOC(=O)c1ccc(C)c(N=C(N)N)c1.CCOC(=O)c1ccc(C)c(Nc2nccc(-c3cccnc3)n2)c1.CCOPCC.CN(C)/C=C/C(=O)c1cccnc1.Cc1cc(NC(=O)c2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc(-n2cnc(C)c2)c1.Cc1ccc(C(=O)O)cc1Nc1nccc(-c2cccnc2)n1.Cc1cn(-c2cc(N)cc(C(F)(F)F)c2)cn1.[C-]#[N+]N.[Na+].[OH-]
InChIInChI=1S/C28H25N7O.C19H18N4O2.C17H14N4O2.C11H10F3N3.C11H15N3O2.C10H12N2O.C10H13NO2.C4H11OP.CH2N2.CH2O.2CH4.Na.H2O/c1-18-11-23(14-24(12-18)35-16-20(3)31-17-35)32-27(36)21-7-6-19(2)26(13-21)34-28-30-10-8-25(33-28)22-5-4-9-29-15-22;1-3-25-18(24)14-7-6-13(2)17(11-14)23-19-21-10-8-16(22-19)15-5-4-9-20-12-15;1-11-4-5-12(16(22)23)9-15(11)21-17-19-8-6-14(20-17)13-3-2-7-18-10-13;1-7-5-17(6-16-7)10-3-8(11(12,13)14)2-9(15)4-10;1-3-16-10(15)8-5-4-7(2)9(6-8)14-11(12)13;1-12(2)7-5-10(13)9-4-3-6-11-8-9;1-3-13-10(12)8-5-4-7(2)9(11)6-8;1-3-5-6-4-2;1-3-2;1-2;;;;/h4-17H,1-3H3,(H,32,36)(H,30,33,34);4-12H,3H2,1-2H3,(H,21,22,23);2-10H,1H3,(H,22,23)(H,19,20,21);2-6H,15H2,1H3;4-6H,3H2,1-2H3,(H4,12,13,14);3-8H,1-2H3;4-6H,3,11H2,1-2H3;6H,3-4H2,1-2H3;2H2;1H2;2*1H4;;1H2/q;;;;;;;;;;;;+1;/p-1/b;;;;;7-5+;;;;;;;;
InChIKeyHDSXXOTWKZXDBW-RAMGJLHCSA-M
MW2184.43 g/mol
LogP18.98
Rot. Bonds27

About sodium;aminoazaniumylidynemethane;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;ethoxy(ethyl)phosphane;ethyl 3-amino-4-methylbenzoate;ethyl 3-(diaminomethylideneamino)-4-methylbenzoate;ethyl 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoate;formaldehyde;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid;hydroxide

sodium;aminoazaniumylidynemethane;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;ethoxy(ethyl)phosphane;ethyl 3-amino-4-methylbenzoate;ethyl 3-(diaminomethylideneamino)-4-methylbenzoate;ethyl 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoate;formaldehyde;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid;hydroxide (PubChem CID 158448967) has the molecular formula C114H131F3N26NaO13P and a molecular weight of 2184.43 g/mol. Its IUPAC name is sodium;aminoazaniumylidynemethane;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;ethoxy(ethyl)phosphane;ethyl 3-amino-4-methylbenzoate;ethyl 3-(diaminomethylideneamino)-4-methylbenzoate;ethyl 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoate;formaldehyde;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid;hydroxide.

Molecular Properties

Compound Namesodium;aminoazaniumylidynemethane;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;ethoxy(ethyl)phosphane;ethyl 3-amino-4-methylbenzoate;ethyl 3-(diaminomethylideneamino)-4-methylbenzoate;ethyl 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoate;formaldehyde;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid;hydroxide
PubChem CID158448967
Molecular FormulaC114H131F3N26NaO13P
Molecular Weight2184.43 g/mol
Exact Mass2183.00
IUPAC Namesodium;aminoazaniumylidynemethane;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;ethoxy(ethyl)phosphane;ethyl 3-amino-4-methylbenzoate;ethyl 3-(diaminomethylideneamino)-4-methylbenzoate;ethyl 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoate;formaldehyde;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid;hydroxide
SMILESC.C.C=O.CCOC(=O)c1ccc(C)c(N)c1.CCOC(=O)c1ccc(C)c(N=C(N)N)c1.CCOC(=O)c1ccc(C)c(Nc2nccc(-c3cccnc3)n2)c1.CCOPCC.CN(C)/C=C/C(=O)c1cccnc1.Cc1cc(NC(=O)c2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc(-n2cnc(C)c2)c1.Cc1ccc(C(=O)O)cc1Nc1nccc(-c2cccnc2)n1.Cc1cn(-c2cc(N)cc(C(F)(F)F)c2)cn1.[C-]#[N+]N.[Na+].[OH-]
InChIInChI=1S/C28H25N7O.C19H18N4O2.C17H14N4O2.C11H10F3N3.C11H15N3O2.C10H12N2O.C10H13NO2.C4H11OP.CH2N2.CH2O.2CH4.Na.H2O/c1-18-11-23(14-24(12-18)35-16-20(3)31-17-35)32-27(36)21-7-6-19(2)26(13-21)34-28-30-10-8-25(33-28)22-5-4-9-29-15-22;1-3-25-18(24)14-7-6-13(2)17(11-14)23-19-21-10-8-16(22-19)15-5-4-9-20-12-15;1-11-4-5-12(16(22)23)9-15(11)21-17-19-8-6-14(20-17)13-3-2-7-18-10-13;1-7-5-17(6-16-7)10-3-8(11(12,13)14)2-9(15)4-10;1-3-16-10(15)8-5-4-7(2)9(6-8)14-11(12)13;1-12(2)7-5-10(13)9-4-3-6-11-8-9;1-3-13-10(12)8-5-4-7(2)9(11)6-8;1-3-5-6-4-2;1-3-2;1-2;;;;/h4-17H,1-3H3,(H,32,36)(H,30,33,34);4-12H,3H2,1-2H3,(H,21,22,23);2-10H,1H3,(H,22,23)(H,19,20,21);2-6H,15H2,1H3;4-6H,3H2,1-2H3,(H4,12,13,14);3-8H,1-2H3;4-6H,3,11H2,1-2H3;6H,3-4H2,1-2H3;2H2;1H2;2*1H4;;1H2/q;;;;;;;;;;;;+1;/p-1/b;;;;;7-5+;;;;;;;;
InChIKeyHDSXXOTWKZXDBW-RAMGJLHCSA-M
XLogP18.98
TPSA569.36 Ų
H-Bond Donors10
H-Bond Acceptors34
Rotatable Bonds27
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002184.43
LogP ≤ 518.98
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze sodium;aminoazaniumylidynemethane;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;ethoxy(ethyl)phosphane;ethyl 3-amino-4-methylbenzoate;ethyl 3-(diaminomethylideneamino)-4-methylbenzoate;ethyl 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoate;formaldehyde;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid;hydroxide with MolForge

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Related Compounds

3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;methyl 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoate
CID 157227336
methyl 3-iodo-4-methylbenzoate;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide;methyl 4-methyl-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]benzoate;4-methyl-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]benzoic acid;4-pyridin-4-ylpyrimidin-2-amine
CID 157556137
N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;methyl 3-iodo-4-methylbenzoate;methyl 4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]benzoate;4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]benzoic acid;4-phenylpyrimidin-2-amine
CID 157666080
2-chloropyrimidine;N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-(pyrimidin-2-ylamino)benzamide;methyl 3-amino-4-methylbenzoate;4-methyl-3-(pyrimidin-2-ylamino)benzoic acid
CID 157882800
sodium;ethyl 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzoate;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzoic acid;hydroxide
CID 157919609
tert-butyl 3-[2-[[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]methyl]pyrimidin-4-yl]piperidine-1-carboxylate;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(1-prop-2-enoylpiperidin-3-yl)pyrimidin-2-yl]methyl]benzamide;4-methyl-3-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pyrimidin-2-yl]amino]benzoic acid
CID 159095178
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]benzamide;4-methyl-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]benzoic acid
CID 159218872
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid;3-(4-methyltriazol-1-yl)-5-(trifluoromethyl)aniline;hydroiodide
CID 159416237
methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;methyl 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoate
CID 159836906
sodium;ethyl 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoate;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid;hydroxide
CID 160775971
ethyl 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzoate;3-methyl-5-(4-methylimidazol-1-yl)aniline;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide
CID 161054370
sodium;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;ethanol;ethyl 3-amino-4-methylbenzoate;ethyl 3-(diaminomethylideneamino)-4-methylbenzoate;ethyl 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoate;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid;hydroxide;nitrate
CID 161263430

Frequently Asked Questions

What is the IUPAC name of sodium;aminoazaniumylidynemethane;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;ethoxy(ethyl)phosphane;ethyl 3-amino-4-methylbenzoate;ethyl 3-(diaminomethylideneamino)-4-methylbenzoate;ethyl 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoate;formaldehyde;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid;hydroxide?
The IUPAC name of sodium;aminoazaniumylidynemethane;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;ethoxy(ethyl)phosphane;ethyl 3-amino-4-methylbenzoate;ethyl 3-(diaminomethylideneamino)-4-methylbenzoate;ethyl 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoate;formaldehyde;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid;hydroxide (CID 158448967) is sodium;aminoazaniumylidynemethane;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;ethoxy(ethyl)phosphane;ethyl 3-amino-4-methylbenzoate;ethyl 3-(diaminomethylideneamino)-4-methylbenzoate;ethyl 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoate;formaldehyde;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid;hydroxide.
What is the SMILES notation for sodium;aminoazaniumylidynemethane;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;ethoxy(ethyl)phosphane;ethyl 3-amino-4-methylbenzoate;ethyl 3-(diaminomethylideneamino)-4-methylbenzoate;ethyl 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoate;formaldehyde;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid;hydroxide?
The canonical SMILES for sodium;aminoazaniumylidynemethane;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;ethoxy(ethyl)phosphane;ethyl 3-amino-4-methylbenzoate;ethyl 3-(diaminomethylideneamino)-4-methylbenzoate;ethyl 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoate;formaldehyde;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid;hydroxide is C.C.C=O.CCOC(=O)c1ccc(C)c(N)c1.CCOC(=O)c1ccc(C)c(N=C(N)N)c1.CCOC(=O)c1ccc(C)c(Nc2nccc(-c3cccnc3)n2)c1.CCOPCC.CN(C)/C=C/C(=O)c1cccnc1.Cc1cc(NC(=O)c2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc(-n2cnc(C)c2)c1.Cc1ccc(C(=O)O)cc1Nc1nccc(-c2cccnc2)n1.Cc1cn(-c2cc(N)cc(C(F)(F)F)c2)cn1.[C-]#[N+]N.[Na+].[OH-].
What is the InChIKey of sodium;aminoazaniumylidynemethane;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;ethoxy(ethyl)phosphane;ethyl 3-amino-4-methylbenzoate;ethyl 3-(diaminomethylideneamino)-4-methylbenzoate;ethyl 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoate;formaldehyde;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid;hydroxide?
The InChIKey is HDSXXOTWKZXDBW-RAMGJLHCSA-M. The full InChI is InChI=1S/C28H25N7O.C19H18N4O2.C17H14N4O2.C11H10F3N3.C11H15N3O2.C10H12N2O.C10H13NO2.C4H11OP.CH2N2.CH2O.2CH4.Na.H2O/c1-18-11-23(14-24(12-18)35-16-20(3)31-17-35)32-27(36)21-7-6-19(2)26(13-21)34-28-30-10-8-25(33-28)22-5-4-9-29-15-22;1-3-25-18(24)14-7-6-13(2)17(11-14)23-19-21-10-8-16(22-19)15-5-4-9-20-12-15;1-11-4-5-12(16(22)23)9-15(11)21-17-19-8-6-14(20-17)13-3-2-7-18-10-13;1-7-5-17(6-16-7)10-3-8(11(12,13)14)2-9(15)4-10;1-3-16-10(15)8-5-4-7(2)9(6-8)14-11(12)13;1-12(2)7-5-10(13)9-4-3-6-11-8-9;1-3-13-10(12)8-5-4-7(2)9(11)6-8;1-3-5-6-4-2;1-3-2;1-2;;;;/h4-17H,1-3H3,(H,32,36)(H,30,33,34);4-12H,3H2,1-2H3,(H,21,22,23);2-10H,1H3,(H,22,23)(H,19,20,21);2-6H,15H2,1H3;4-6H,3H2,1-2H3,(H4,12,13,14);3-8H,1-2H3;4-6H,3,11H2,1-2H3;6H,3-4H2,1-2H3;2H2;1H2;2*1H4;;1H2/q;;;;;;;;;;;;+1;/p-1/b;;;;;7-5+;;;;;;;;.
What are the key properties of sodium;aminoazaniumylidynemethane;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;ethoxy(ethyl)phosphane;ethyl 3-amino-4-methylbenzoate;ethyl 3-(diaminomethylideneamino)-4-methylbenzoate;ethyl 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoate;formaldehyde;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid;hydroxide?
sodium;aminoazaniumylidynemethane;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;ethoxy(ethyl)phosphane;ethyl 3-amino-4-methylbenzoate;ethyl 3-(diaminomethylideneamino)-4-methylbenzoate;ethyl 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoate;formaldehyde;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid;hydroxide has a molecular weight of 2184.43 g/mol, XLogP of 18.98, 27 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;aminoazaniumylidynemethane;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;ethoxy(ethyl)phosphane;ethyl 3-amino-4-methylbenzoate;ethyl 3-(diaminomethylideneamino)-4-methylbenzoate;ethyl 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoate;formaldehyde;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid;hydroxide is sourced from PubChem (CID 158448967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).