6-amino-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide;3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl N-[[2-[3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methyl]carbamate;2-chloro-6-methylpyridine-4-carbonitrile;methyl 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 3-hydroxybenzoate;methyl 3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 3-[[4-oxo-6-(trifluoromethyl)-1H-pyridin-2-yl]oxy]benzoate;3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;hydrochloride

C146H144Cl2F18N28O26 — CID 157082128

IUPAC6-amino-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide;3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl N-[[2-[3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methyl]carbamate;2-chloro-6-methylpyridine-4-carbonitrile;methyl 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 3-hydroxybenzoate;methyl 3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 3-[[4-oxo-6-(trifluoromethyl)-1H-pyridin-2-yl]oxy]benzoate;3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;hydrochloride
SMILESCC(C)(C)OC(=O)NCc1cc(Oc2cccc(C(=O)O)c2)nc(C(F)(F)F)c1.CC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(Oc3cc(CN)cc(C(F)(F)F)n3)c2)n1.CC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(Oc3cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)n3)c2)n1.COC(=O)c1cccc(O)c1.COC(=O)c1cccc(Oc2cc(=O)cc(C(F)(F)F)[nH]2)c1.COC(=O)c1cccc(Oc2cc(CN)cc(C(F)(F)F)n2)c1.COC(=O)c1cccc(Oc2cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)n2)c1.Cc1cc(C#N)cc(Cl)n1.Cl.[H]/N=C(/c1cccc(N)n1)N(/C=N/[H])C(C)C
InChIInChI=1S/C29H30F3N7O4.C24H22F3N7O2.C20H21F3N2O5.C19H19F3N2O5.C15H13F3N2O3.C14H10F3NO4.C10H15N5.C8H8O3.C7H5ClN2.ClH/c1-17(2)39-16-34-38-25(39)21-10-7-11-23(35-21)37-26(40)19-8-6-9-20(14-19)42-24-13-18(12-22(36-24)29(30,31)32)15-33-27(41)43-28(3,4)5;1-14(2)34-13-29-33-22(34)18-7-4-8-20(30-18)32-23(35)16-5-3-6-17(11-16)36-21-10-15(12-28)9-19(31-21)24(25,26)27;1-19(2,3)30-18(27)24-11-12-8-15(20(21,22)23)25-16(9-12)29-14-7-5-6-13(10-14)17(26)28-4;1-18(2,3)29-17(27)23-10-11-7-14(19(20,21)22)24-15(8-11)28-13-6-4-5-12(9-13)16(25)26;1-22-14(21)10-3-2-4-11(7-10)23-13-6-9(8-19)5-12(20-13)15(16,17)18;1-21-13(20)8-3-2-4-10(5-8)22-12-7-9(19)6-11(18-12)14(15,16)17;1-7(2)15(6-11)10(13)8-4-3-5-9(12)14-8;1-11-8(10)6-3-2-4-7(9)5-6;1-5-2-6(4-9)3-7(8)10-5;/h6-14,16-17H,15H2,1-5H3,(H,33,41)(H,35,37,40);3-11,13-14H,12,28H2,1-2H3,(H,30,32,35);5-10H,11H2,1-4H3,(H,24,27);4-9H,10H2,1-3H3,(H,23,27)(H,25,26);2-7H,8,19H2,1H3;2-7H,1H3,(H,18,19);3-7,11,13H,1-2H3,(H2,12,14);2-5,9H,1H3;2-3H,1H3;1H/b;;;;;;11-6+,13-10-;;;
InChIKeyMRNHONUYRXCOAQ-TYPCWWOPSA-N
MW3119.80 g/mol
LogP31.49
Rot. Bonds36

About 6-amino-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide;3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl N-[[2-[3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methyl]carbamate;2-chloro-6-methylpyridine-4-carbonitrile;methyl 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 3-hydroxybenzoate;methyl 3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 3-[[4-oxo-6-(trifluoromethyl)-1H-pyridin-2-yl]oxy]benzoate;3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;hydrochloride

6-amino-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide;3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl N-[[2-[3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methyl]carbamate;2-chloro-6-methylpyridine-4-carbonitrile;methyl 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 3-hydroxybenzoate;methyl 3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 3-[[4-oxo-6-(trifluoromethyl)-1H-pyridin-2-yl]oxy]benzoate;3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;hydrochloride (PubChem CID 157082128) has the molecular formula C146H144Cl2F18N28O26 and a molecular weight of 3119.80 g/mol. Its IUPAC name is 6-amino-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide;3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl N-[[2-[3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methyl]carbamate;2-chloro-6-methylpyridine-4-carbonitrile;methyl 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 3-hydroxybenzoate;methyl 3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 3-[[4-oxo-6-(trifluoromethyl)-1H-pyridin-2-yl]oxy]benzoate;3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;hydrochloride.

Molecular Properties

Compound Name6-amino-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide;3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl N-[[2-[3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methyl]carbamate;2-chloro-6-methylpyridine-4-carbonitrile;methyl 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 3-hydroxybenzoate;methyl 3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 3-[[4-oxo-6-(trifluoromethyl)-1H-pyridin-2-yl]oxy]benzoate;3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;hydrochloride
PubChem CID157082128
Molecular FormulaC146H144Cl2F18N28O26
Molecular Weight3119.80 g/mol
Exact Mass3116.99
IUPAC Name6-amino-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide;3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl N-[[2-[3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methyl]carbamate;2-chloro-6-methylpyridine-4-carbonitrile;methyl 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 3-hydroxybenzoate;methyl 3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 3-[[4-oxo-6-(trifluoromethyl)-1H-pyridin-2-yl]oxy]benzoate;3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;hydrochloride
SMILESCC(C)(C)OC(=O)NCc1cc(Oc2cccc(C(=O)O)c2)nc(C(F)(F)F)c1.CC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(Oc3cc(CN)cc(C(F)(F)F)n3)c2)n1.CC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(Oc3cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)n3)c2)n1.COC(=O)c1cccc(O)c1.COC(=O)c1cccc(Oc2cc(=O)cc(C(F)(F)F)[nH]2)c1.COC(=O)c1cccc(Oc2cc(CN)cc(C(F)(F)F)n2)c1.COC(=O)c1cccc(Oc2cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)n2)c1.Cc1cc(C#N)cc(Cl)n1.Cl.[H]/N=C(/c1cccc(N)n1)N(/C=N/[H])C(C)C
InChIInChI=1S/C29H30F3N7O4.C24H22F3N7O2.C20H21F3N2O5.C19H19F3N2O5.C15H13F3N2O3.C14H10F3NO4.C10H15N5.C8H8O3.C7H5ClN2.ClH/c1-17(2)39-16-34-38-25(39)21-10-7-11-23(35-21)37-26(40)19-8-6-9-20(14-19)42-24-13-18(12-22(36-24)29(30,31)32)15-33-27(41)43-28(3,4)5;1-14(2)34-13-29-33-22(34)18-7-4-8-20(30-18)32-23(35)16-5-3-6-17(11-16)36-21-10-15(12-28)9-19(31-21)24(25,26)27;1-19(2,3)30-18(27)24-11-12-8-15(20(21,22)23)25-16(9-12)29-14-7-5-6-13(10-14)17(26)28-4;1-18(2,3)29-17(27)23-10-11-7-14(19(20,21)22)24-15(8-11)28-13-6-4-5-12(9-13)16(25)26;1-22-14(21)10-3-2-4-11(7-10)23-13-6-9(8-19)5-12(20-13)15(16,17)18;1-21-13(20)8-3-2-4-10(5-8)22-12-7-9(19)6-11(18-12)14(15,16)17;1-7(2)15(6-11)10(13)8-4-3-5-9(12)14-8;1-11-8(10)6-3-2-4-7(9)5-6;1-5-2-6(4-9)3-7(8)10-5;/h6-14,16-17H,15H2,1-5H3,(H,33,41)(H,35,37,40);3-11,13-14H,12,28H2,1-2H3,(H,30,32,35);5-10H,11H2,1-4H3,(H,24,27);4-9H,10H2,1-3H3,(H,23,27)(H,25,26);2-7H,8,19H2,1H3;2-7H,1H3,(H,18,19);3-7,11,13H,1-2H3,(H2,12,14);2-5,9H,1H3;2-3H,1H3;1H/b;;;;;;11-6+,13-10-;;;
InChIKeyMRNHONUYRXCOAQ-TYPCWWOPSA-N
XLogP31.49
TPSA754.38 Ų
H-Bond Donors13
H-Bond Acceptors46
Rotatable Bonds36
Heavy Atoms220
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003119.80
LogP ≤ 531.49
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 6-amino-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide;3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl N-[[2-[3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methyl]carbamate;2-chloro-6-methylpyridine-4-carbonitrile;methyl 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 3-hydroxybenzoate;methyl 3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 3-[[4-oxo-6-(trifluoromethyl)-1H-pyridin-2-yl]oxy]benzoate;3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[4-isocyano-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;methane;2-[3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenoxy]-6-(trifluoromethyl)pyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 158946498
ethane;3-hydroxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;3-[[4-isocyano-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;methane;3-phenylmethoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 160367475
6-amino-N-cyclopropyl-N-methanimidoylpyridine-2-carboximidamide;tert-butyl N-[[2-[[2-[[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-4-pyridinyl]oxy]-6-(trifluoromethyl)-4-pyridinyl]methyl]carbamate;2-chloro-6-methylpyridine-4-carbonitrile;methyl 4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-2-carboxylate;methyl 4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-2-carboxylate;methyl 4-oxo-1H-pyridine-2-carboxylate;methyl 4-[[4-oxo-6-(trifluoromethyl)-1H-pyridin-2-yl]oxy]pyridine-2-carboxylate;4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid
CID 161387277
5-[(6-bromo-2-pyridinyl)oxy]-2-fluorobenzoic acid;bis(5-[(6-bromo-2-pyridinyl)oxy]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide);6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;dihydrochloride
CID 157257214
6-amino-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide;methane;3-phenylmethoxybenzoic acid;3-phenylmethoxybenzoyl chloride;3-phenylmethoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 157323400
5-[(6-bromo-2-pyridinyl)oxy]-2-fluorobenzoic acid;2,6-dibromopyridine;2-fluoro-5-hydroxybenzoic acid;bis(2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzamide);2-fluoro-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzoic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;pyrrolidine;dihydrochloride
CID 158505048

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide;3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl N-[[2-[3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methyl]carbamate;2-chloro-6-methylpyridine-4-carbonitrile;methyl 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 3-hydroxybenzoate;methyl 3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 3-[[4-oxo-6-(trifluoromethyl)-1H-pyridin-2-yl]oxy]benzoate;3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;hydrochloride?
The IUPAC name of 6-amino-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide;3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl N-[[2-[3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methyl]carbamate;2-chloro-6-methylpyridine-4-carbonitrile;methyl 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 3-hydroxybenzoate;methyl 3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 3-[[4-oxo-6-(trifluoromethyl)-1H-pyridin-2-yl]oxy]benzoate;3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;hydrochloride (CID 157082128) is 6-amino-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide;3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl N-[[2-[3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methyl]carbamate;2-chloro-6-methylpyridine-4-carbonitrile;methyl 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 3-hydroxybenzoate;methyl 3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 3-[[4-oxo-6-(trifluoromethyl)-1H-pyridin-2-yl]oxy]benzoate;3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;hydrochloride.
What is the SMILES notation for 6-amino-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide;3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl N-[[2-[3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methyl]carbamate;2-chloro-6-methylpyridine-4-carbonitrile;methyl 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 3-hydroxybenzoate;methyl 3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 3-[[4-oxo-6-(trifluoromethyl)-1H-pyridin-2-yl]oxy]benzoate;3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;hydrochloride?
The canonical SMILES for 6-amino-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide;3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl N-[[2-[3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methyl]carbamate;2-chloro-6-methylpyridine-4-carbonitrile;methyl 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 3-hydroxybenzoate;methyl 3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 3-[[4-oxo-6-(trifluoromethyl)-1H-pyridin-2-yl]oxy]benzoate;3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;hydrochloride is CC(C)(C)OC(=O)NCc1cc(Oc2cccc(C(=O)O)c2)nc(C(F)(F)F)c1.CC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(Oc3cc(CN)cc(C(F)(F)F)n3)c2)n1.CC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(Oc3cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)n3)c2)n1.COC(=O)c1cccc(O)c1.COC(=O)c1cccc(Oc2cc(=O)cc(C(F)(F)F)[nH]2)c1.COC(=O)c1cccc(Oc2cc(CN)cc(C(F)(F)F)n2)c1.COC(=O)c1cccc(Oc2cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)n2)c1.Cc1cc(C#N)cc(Cl)n1.Cl.[H]/N=C(/c1cccc(N)n1)N(/C=N/[H])C(C)C.
What is the InChIKey of 6-amino-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide;3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl N-[[2-[3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methyl]carbamate;2-chloro-6-methylpyridine-4-carbonitrile;methyl 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 3-hydroxybenzoate;methyl 3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 3-[[4-oxo-6-(trifluoromethyl)-1H-pyridin-2-yl]oxy]benzoate;3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;hydrochloride?
The InChIKey is MRNHONUYRXCOAQ-TYPCWWOPSA-N. The full InChI is InChI=1S/C29H30F3N7O4.C24H22F3N7O2.C20H21F3N2O5.C19H19F3N2O5.C15H13F3N2O3.C14H10F3NO4.C10H15N5.C8H8O3.C7H5ClN2.ClH/c1-17(2)39-16-34-38-25(39)21-10-7-11-23(35-21)37-26(40)19-8-6-9-20(14-19)42-24-13-18(12-22(36-24)29(30,31)32)15-33-27(41)43-28(3,4)5;1-14(2)34-13-29-33-22(34)18-7-4-8-20(30-18)32-23(35)16-5-3-6-17(11-16)36-21-10-15(12-28)9-19(31-21)24(25,26)27;1-19(2,3)30-18(27)24-11-12-8-15(20(21,22)23)25-16(9-12)29-14-7-5-6-13(10-14)17(26)28-4;1-18(2,3)29-17(27)23-10-11-7-14(19(20,21)22)24-15(8-11)28-13-6-4-5-12(9-13)16(25)26;1-22-14(21)10-3-2-4-11(7-10)23-13-6-9(8-19)5-12(20-13)15(16,17)18;1-21-13(20)8-3-2-4-10(5-8)22-12-7-9(19)6-11(18-12)14(15,16)17;1-7(2)15(6-11)10(13)8-4-3-5-9(12)14-8;1-11-8(10)6-3-2-4-7(9)5-6;1-5-2-6(4-9)3-7(8)10-5;/h6-14,16-17H,15H2,1-5H3,(H,33,41)(H,35,37,40);3-11,13-14H,12,28H2,1-2H3,(H,30,32,35);5-10H,11H2,1-4H3,(H,24,27);4-9H,10H2,1-3H3,(H,23,27)(H,25,26);2-7H,8,19H2,1H3;2-7H,1H3,(H,18,19);3-7,11,13H,1-2H3,(H2,12,14);2-5,9H,1H3;2-3H,1H3;1H/b;;;;;;11-6+,13-10-;;;.
What are the key properties of 6-amino-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide;3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl N-[[2-[3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methyl]carbamate;2-chloro-6-methylpyridine-4-carbonitrile;methyl 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 3-hydroxybenzoate;methyl 3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 3-[[4-oxo-6-(trifluoromethyl)-1H-pyridin-2-yl]oxy]benzoate;3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;hydrochloride?
6-amino-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide;3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl N-[[2-[3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methyl]carbamate;2-chloro-6-methylpyridine-4-carbonitrile;methyl 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 3-hydroxybenzoate;methyl 3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 3-[[4-oxo-6-(trifluoromethyl)-1H-pyridin-2-yl]oxy]benzoate;3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;hydrochloride has a molecular weight of 3119.80 g/mol, XLogP of 31.49, 36 rotatable bonds, 13 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide;3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl N-[[2-[3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenoxy]-6-(trifluoromethyl)-4-pyridinyl]methyl]carbamate;2-chloro-6-methylpyridine-4-carbonitrile;methyl 3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 3-hydroxybenzoate;methyl 3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 3-[[4-oxo-6-(trifluoromethyl)-1H-pyridin-2-yl]oxy]benzoate;3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;hydrochloride is sourced from PubChem (CID 157082128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).