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

C116H111ClF15N27O24 — CID 161387277

IUPAC6-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
SMILESCC(C)(C)OC(=O)NCc1cc(Oc2ccnc(C(=O)Nc3cccc(-c4nncn4C4CC4)n3)c2)nc(C(F)(F)F)c1.CC(C)(C)OC(=O)NCc1cc(Oc2ccnc(C(=O)O)c2)nc(C(F)(F)F)c1.COC(=O)c1cc(=O)cc[nH]1.COC(=O)c1cc(Oc2cc(=O)cc(C(F)(F)F)[nH]2)ccn1.COC(=O)c1cc(Oc2cc(CN)cc(C(F)(F)F)n2)ccn1.COC(=O)c1cc(Oc2cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)n2)ccn1.Cc1cc(C#N)cc(Cl)n1.[H]/N=C/N(/C(=N/[H])c1cccc(N)n1)C1CC1
InChIInChI=1S/C28H27F3N8O4.C19H20F3N3O5.C18H18F3N3O5.C14H12F3N3O3.C13H9F3N2O4.C10H13N5.C7H5ClN2.C7H7NO3/c1-27(2,3)43-26(41)33-14-16-11-21(28(29,30)31)36-23(12-16)42-18-9-10-32-20(13-18)25(40)37-22-6-4-5-19(35-22)24-38-34-15-39(24)17-7-8-17;1-18(2,3)30-17(27)24-10-11-7-14(19(20,21)22)25-15(8-11)29-12-5-6-23-13(9-12)16(26)28-4;1-17(2,3)29-16(27)23-9-10-6-13(18(19,20)21)24-14(7-10)28-11-4-5-22-12(8-11)15(25)26;1-22-13(21)10-6-9(2-3-19-10)23-12-5-8(7-18)4-11(20-12)14(15,16)17;1-21-12(20)9-6-8(2-3-17-9)22-11-5-7(19)4-10(18-11)13(14,15)16;11-6-15(7-4-5-7)10(13)8-2-1-3-9(12)14-8;1-5-2-6(4-9)3-7(8)10-5;1-11-7(10)6-4-5(9)2-3-8-6/h4-6,9-13,15,17H,7-8,14H2,1-3H3,(H,33,41)(H,35,37,40);5-9H,10H2,1-4H3,(H,24,27);4-8H,9H2,1-3H3,(H,23,27)(H,25,26);2-6H,7,18H2,1H3;2-6H,1H3,(H,18,19);1-3,6-7,11,13H,4-5H2,(H2,12,14);2-3H,1H3;2-4H,1H3,(H,8,9)/b;;;;;11-6+,13-10+;;
InChIKeyVSMZWAJMQNIOMK-MWRPDJJISA-N
MW2587.75 g/mol
LogP21.70
Rot. Bonds29

About 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

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 (PubChem CID 161387277) has the molecular formula C116H111ClF15N27O24 and a molecular weight of 2587.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID161387277
Molecular FormulaC116H111ClF15N27O24
Molecular Weight2587.75 g/mol
Exact Mass2585.77
IUPAC Name6-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
SMILESCC(C)(C)OC(=O)NCc1cc(Oc2ccnc(C(=O)Nc3cccc(-c4nncn4C4CC4)n3)c2)nc(C(F)(F)F)c1.CC(C)(C)OC(=O)NCc1cc(Oc2ccnc(C(=O)O)c2)nc(C(F)(F)F)c1.COC(=O)c1cc(=O)cc[nH]1.COC(=O)c1cc(Oc2cc(=O)cc(C(F)(F)F)[nH]2)ccn1.COC(=O)c1cc(Oc2cc(CN)cc(C(F)(F)F)n2)ccn1.COC(=O)c1cc(Oc2cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)n2)ccn1.Cc1cc(C#N)cc(Cl)n1.[H]/N=C/N(/C(=N/[H])c1cccc(N)n1)C1CC1
InChIInChI=1S/C28H27F3N8O4.C19H20F3N3O5.C18H18F3N3O5.C14H12F3N3O3.C13H9F3N2O4.C10H13N5.C7H5ClN2.C7H7NO3/c1-27(2,3)43-26(41)33-14-16-11-21(28(29,30)31)36-23(12-16)42-18-9-10-32-20(13-18)25(40)37-22-6-4-5-19(35-22)24-38-34-15-39(24)17-7-8-17;1-18(2,3)30-17(27)24-10-11-7-14(19(20,21)22)25-15(8-11)29-12-5-6-23-13(9-12)16(26)28-4;1-17(2,3)29-16(27)23-9-10-6-13(18(19,20)21)24-14(7-10)28-11-4-5-22-12(8-11)15(25)26;1-22-13(21)10-6-9(2-3-19-10)23-12-5-8(7-18)4-11(20-12)14(15,16)17;1-21-12(20)9-6-8(2-3-17-9)22-11-5-7(19)4-10(18-11)13(14,15)16;11-6-15(7-4-5-7)10(13)8-2-1-3-9(12)14-8;1-5-2-6(4-9)3-7(8)10-5;1-11-7(10)6-4-5(9)2-3-8-6/h4-6,9-13,15,17H,7-8,14H2,1-3H3,(H,33,41)(H,35,37,40);5-9H,10H2,1-4H3,(H,24,27);4-8H,9H2,1-3H3,(H,23,27)(H,25,26);2-6H,7,18H2,1H3;2-6H,1H3,(H,18,19);1-3,6-7,11,13H,4-5H2,(H2,12,14);2-3H,1H3;2-4H,1H3,(H,8,9)/b;;;;;11-6+,13-10+;;
InChIKeyVSMZWAJMQNIOMK-MWRPDJJISA-N
XLogP21.70
TPSA710.62 Ų
H-Bond Donors11
H-Bond Acceptors43
Rotatable Bonds29
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002587.75
LogP ≤ 521.70
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1043

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-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 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

US11345676, Example 17
CID 142442224
[2-[[2-[[6-(4-Cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-4-pyridinyl]oxy]-6-(trifluoromethyl)-4-pyridinyl]methylcarbamic acid
CID 135348330
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
4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide;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;hydrochloride
CID 157716982

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)OC(=O)NCc1cc(Oc2ccnc(C(=O)Nc3cccc(-c4nncn4C4CC4)n3)c2)nc(C(F)(F)F)c1.CC(C)(C)OC(=O)NCc1cc(Oc2ccnc(C(=O)O)c2)nc(C(F)(F)F)c1.COC(=O)c1cc(=O)cc[nH]1.COC(=O)c1cc(Oc2cc(=O)cc(C(F)(F)F)[nH]2)ccn1.COC(=O)c1cc(Oc2cc(CN)cc(C(F)(F)F)n2)ccn1.COC(=O)c1cc(Oc2cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)n2)ccn1.Cc1cc(C#N)cc(Cl)n1.[H]/N=C/N(/C(=N/[H])c1cccc(N)n1)C1CC1.
What is the InChIKey of 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?
The InChIKey is VSMZWAJMQNIOMK-MWRPDJJISA-N. The full InChI is InChI=1S/C28H27F3N8O4.C19H20F3N3O5.C18H18F3N3O5.C14H12F3N3O3.C13H9F3N2O4.C10H13N5.C7H5ClN2.C7H7NO3/c1-27(2,3)43-26(41)33-14-16-11-21(28(29,30)31)36-23(12-16)42-18-9-10-32-20(13-18)25(40)37-22-6-4-5-19(35-22)24-38-34-15-39(24)17-7-8-17;1-18(2,3)30-17(27)24-10-11-7-14(19(20,21)22)25-15(8-11)29-12-5-6-23-13(9-12)16(26)28-4;1-17(2,3)29-16(27)23-9-10-6-13(18(19,20)21)24-14(7-10)28-11-4-5-22-12(8-11)15(25)26;1-22-13(21)10-6-9(2-3-19-10)23-12-5-8(7-18)4-11(20-12)14(15,16)17;1-21-12(20)9-6-8(2-3-17-9)22-11-5-7(19)4-10(18-11)13(14,15)16;11-6-15(7-4-5-7)10(13)8-2-1-3-9(12)14-8;1-5-2-6(4-9)3-7(8)10-5;1-11-7(10)6-4-5(9)2-3-8-6/h4-6,9-13,15,17H,7-8,14H2,1-3H3,(H,33,41)(H,35,37,40);5-9H,10H2,1-4H3,(H,24,27);4-8H,9H2,1-3H3,(H,23,27)(H,25,26);2-6H,7,18H2,1H3;2-6H,1H3,(H,18,19);1-3,6-7,11,13H,4-5H2,(H2,12,14);2-3H,1H3;2-4H,1H3,(H,8,9)/b;;;;;11-6+,13-10+;;.
What are the key properties of 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?
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 has a molecular weight of 2587.75 g/mol, XLogP of 21.70, 29 rotatable bonds, 11 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161387277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).