dipotassium;(6Z,9Z,12Z,15Z,18Z)-1-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]henicosa-6,9,12,15,18-pentaen-2-one;6-chloro-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;(4-fluorophenyl)methanamine;6-N-[(4-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine;bis(6-N-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine);hydride;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;bis((5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride);oxido formate

C147H183Cl5F5K2N21O14 — CID 158893700

IUPACdipotassium;(6Z,9Z,12Z,15Z,18Z)-1-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]henicosa-6,9,12,15,18-pentaen-2-one;6-chloro-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;(4-fluorophenyl)methanamine;6-N-[(4-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine;bis(6-N-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine);hydride;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;bis((5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride);oxido formate
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Cc1ccc(NCc2ccc(F)cc2)nc1N.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Cl.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Cl.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O.NCc1ccc(F)cc1.Nc1ccc(NCc2ccc(F)cc2)nc1N.Nc1ccc(NCc2ccc(F)cc2)nc1N.Nc1nc(Cl)ccc1[N+](=O)[O-].Nc1nc(NCc2ccc(F)cc2)ccc1[N+](=O)[O-].O=CO[O-].O=[N+]([O-])c1ccc(Cl)nc1Cl.[H-].[K+].[K+]
InChIInChI=1S/C33H42FN3O.2C20H29ClO.C20H30O2.C12H11FN4O2.2C12H13FN4.C7H8FN.C5H2Cl2N2O2.C5H4ClN3O2.CH2O3.2K.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31(38)26-29-22-25-32(37-33(29)35)36-27-28-20-23-30(34)24-21-28;3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;13-9-3-1-8(2-4-9)7-15-11-6-5-10(17(18)19)12(14)16-11;2*13-9-3-1-8(2-4-9)7-16-11-6-5-10(14)12(15)17-11;8-7-3-1-6(5-9)2-4-7;2*6-4-2-1-3(9(10)11)5(7)8-4;2-1-4-3;;;/h3-4,6-7,9-10,12-13,15-16,20-25H,2,5,8,11,14,17-19,26-27H2,1H3,(H3,35,36,37);2*3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3;3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22);1-6H,7H2,(H3,14,15,16);2*1-6H,7,14H2,(H3,15,16,17);1-4H,5,9H2;1-2H;1-2H,(H2,7,8);1,3H;;;/q;;;;;;;;;;;2*+1;-1/p-1/b4*4-3-,7-6-,10-9-,13-12-,16-15-;;;;;;;;;;
InChIKeyDTDGCUYJKLMGRS-MBAADCAHSA-M
MW2818.66 g/mol
LogP31.47
Rot. Bonds71

About dipotassium;(6Z,9Z,12Z,15Z,18Z)-1-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]henicosa-6,9,12,15,18-pentaen-2-one;6-chloro-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;(4-fluorophenyl)methanamine;6-N-[(4-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine;bis(6-N-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine);hydride;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;bis((5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride);oxido formate

dipotassium;(6Z,9Z,12Z,15Z,18Z)-1-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]henicosa-6,9,12,15,18-pentaen-2-one;6-chloro-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;(4-fluorophenyl)methanamine;6-N-[(4-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine;bis(6-N-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine);hydride;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;bis((5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride);oxido formate (PubChem CID 158893700) has the molecular formula C147H183Cl5F5K2N21O14 and a molecular weight of 2818.66 g/mol. Its IUPAC name is dipotassium;(6Z,9Z,12Z,15Z,18Z)-1-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]henicosa-6,9,12,15,18-pentaen-2-one;6-chloro-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;(4-fluorophenyl)methanamine;6-N-[(4-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine;bis(6-N-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine);hydride;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;bis((5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride);oxido formate.

Molecular Properties

Compound Namedipotassium;(6Z,9Z,12Z,15Z,18Z)-1-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]henicosa-6,9,12,15,18-pentaen-2-one;6-chloro-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;(4-fluorophenyl)methanamine;6-N-[(4-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine;bis(6-N-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine);hydride;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;bis((5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride);oxido formate
PubChem CID158893700
Molecular FormulaC147H183Cl5F5K2N21O14
Molecular Weight2818.66 g/mol
Exact Mass2814.19
IUPAC Namedipotassium;(6Z,9Z,12Z,15Z,18Z)-1-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]henicosa-6,9,12,15,18-pentaen-2-one;6-chloro-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;(4-fluorophenyl)methanamine;6-N-[(4-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine;bis(6-N-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine);hydride;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;bis((5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride);oxido formate
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Cc1ccc(NCc2ccc(F)cc2)nc1N.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Cl.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Cl.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O.NCc1ccc(F)cc1.Nc1ccc(NCc2ccc(F)cc2)nc1N.Nc1ccc(NCc2ccc(F)cc2)nc1N.Nc1nc(Cl)ccc1[N+](=O)[O-].Nc1nc(NCc2ccc(F)cc2)ccc1[N+](=O)[O-].O=CO[O-].O=[N+]([O-])c1ccc(Cl)nc1Cl.[H-].[K+].[K+]
InChIInChI=1S/C33H42FN3O.2C20H29ClO.C20H30O2.C12H11FN4O2.2C12H13FN4.C7H8FN.C5H2Cl2N2O2.C5H4ClN3O2.CH2O3.2K.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31(38)26-29-22-25-32(37-33(29)35)36-27-28-20-23-30(34)24-21-28;3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;13-9-3-1-8(2-4-9)7-15-11-6-5-10(17(18)19)12(14)16-11;2*13-9-3-1-8(2-4-9)7-16-11-6-5-10(14)12(15)17-11;8-7-3-1-6(5-9)2-4-7;2*6-4-2-1-3(9(10)11)5(7)8-4;2-1-4-3;;;/h3-4,6-7,9-10,12-13,15-16,20-25H,2,5,8,11,14,17-19,26-27H2,1H3,(H3,35,36,37);2*3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3;3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22);1-6H,7H2,(H3,14,15,16);2*1-6H,7,14H2,(H3,15,16,17);1-4H,5,9H2;1-2H;1-2H,(H2,7,8);1,3H;;;/q;;;;;;;;;;;2*+1;-1/p-1/b4*4-3-,7-6-,10-9-,13-12-,16-15-;;;;;;;;;;
InChIKeyDTDGCUYJKLMGRS-MBAADCAHSA-M
XLogP31.47
TPSA600.91 Ų
H-Bond Donors13
H-Bond Acceptors31
Rotatable Bonds71
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002818.66
LogP ≤ 531.47
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze dipotassium;(6Z,9Z,12Z,15Z,18Z)-1-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]henicosa-6,9,12,15,18-pentaen-2-one;6-chloro-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;(4-fluorophenyl)methanamine;6-N-[(4-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine;bis(6-N-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine);hydride;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;bis((5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride);oxido formate with MolForge

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Frequently Asked Questions

What is the IUPAC name of dipotassium;(6Z,9Z,12Z,15Z,18Z)-1-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]henicosa-6,9,12,15,18-pentaen-2-one;6-chloro-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;(4-fluorophenyl)methanamine;6-N-[(4-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine;bis(6-N-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine);hydride;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;bis((5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride);oxido formate?
The IUPAC name of dipotassium;(6Z,9Z,12Z,15Z,18Z)-1-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]henicosa-6,9,12,15,18-pentaen-2-one;6-chloro-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;(4-fluorophenyl)methanamine;6-N-[(4-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine;bis(6-N-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine);hydride;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;bis((5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride);oxido formate (CID 158893700) is dipotassium;(6Z,9Z,12Z,15Z,18Z)-1-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]henicosa-6,9,12,15,18-pentaen-2-one;6-chloro-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;(4-fluorophenyl)methanamine;6-N-[(4-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine;bis(6-N-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine);hydride;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;bis((5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride);oxido formate.
What is the SMILES notation for dipotassium;(6Z,9Z,12Z,15Z,18Z)-1-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]henicosa-6,9,12,15,18-pentaen-2-one;6-chloro-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;(4-fluorophenyl)methanamine;6-N-[(4-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine;bis(6-N-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine);hydride;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;bis((5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride);oxido formate?
The canonical SMILES for dipotassium;(6Z,9Z,12Z,15Z,18Z)-1-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]henicosa-6,9,12,15,18-pentaen-2-one;6-chloro-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;(4-fluorophenyl)methanamine;6-N-[(4-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine;bis(6-N-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine);hydride;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;bis((5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride);oxido formate is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Cc1ccc(NCc2ccc(F)cc2)nc1N.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Cl.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Cl.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O.NCc1ccc(F)cc1.Nc1ccc(NCc2ccc(F)cc2)nc1N.Nc1ccc(NCc2ccc(F)cc2)nc1N.Nc1nc(Cl)ccc1[N+](=O)[O-].Nc1nc(NCc2ccc(F)cc2)ccc1[N+](=O)[O-].O=CO[O-].O=[N+]([O-])c1ccc(Cl)nc1Cl.[H-].[K+].[K+].
What is the InChIKey of dipotassium;(6Z,9Z,12Z,15Z,18Z)-1-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]henicosa-6,9,12,15,18-pentaen-2-one;6-chloro-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;(4-fluorophenyl)methanamine;6-N-[(4-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine;bis(6-N-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine);hydride;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;bis((5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride);oxido formate?
The InChIKey is DTDGCUYJKLMGRS-MBAADCAHSA-M. The full InChI is InChI=1S/C33H42FN3O.2C20H29ClO.C20H30O2.C12H11FN4O2.2C12H13FN4.C7H8FN.C5H2Cl2N2O2.C5H4ClN3O2.CH2O3.2K.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31(38)26-29-22-25-32(37-33(29)35)36-27-28-20-23-30(34)24-21-28;3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;13-9-3-1-8(2-4-9)7-15-11-6-5-10(17(18)19)12(14)16-11;2*13-9-3-1-8(2-4-9)7-16-11-6-5-10(14)12(15)17-11;8-7-3-1-6(5-9)2-4-7;2*6-4-2-1-3(9(10)11)5(7)8-4;2-1-4-3;;;/h3-4,6-7,9-10,12-13,15-16,20-25H,2,5,8,11,14,17-19,26-27H2,1H3,(H3,35,36,37);2*3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3;3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22);1-6H,7H2,(H3,14,15,16);2*1-6H,7,14H2,(H3,15,16,17);1-4H,5,9H2;1-2H;1-2H,(H2,7,8);1,3H;;;/q;;;;;;;;;;;2*+1;-1/p-1/b4*4-3-,7-6-,10-9-,13-12-,16-15-;;;;;;;;;;.
What are the key properties of dipotassium;(6Z,9Z,12Z,15Z,18Z)-1-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]henicosa-6,9,12,15,18-pentaen-2-one;6-chloro-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;(4-fluorophenyl)methanamine;6-N-[(4-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine;bis(6-N-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine);hydride;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;bis((5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride);oxido formate?
dipotassium;(6Z,9Z,12Z,15Z,18Z)-1-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]henicosa-6,9,12,15,18-pentaen-2-one;6-chloro-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;(4-fluorophenyl)methanamine;6-N-[(4-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine;bis(6-N-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine);hydride;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;bis((5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride);oxido formate has a molecular weight of 2818.66 g/mol, XLogP of 31.47, 71 rotatable bonds, 13 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;(6Z,9Z,12Z,15Z,18Z)-1-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]henicosa-6,9,12,15,18-pentaen-2-one;6-chloro-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;(4-fluorophenyl)methanamine;6-N-[(4-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine;bis(6-N-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine);hydride;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;bis((5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl chloride);oxido formate is sourced from PubChem (CID 158893700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).