dipotassium;N-(2-aminophenyl)-4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzamide;benzene-1,2-diamine;tert-butyl 4-fluorobenzoate;tert-butyl 4-(3-hydroxypyrrolidin-1-yl)benzoate;tert-butyl 4-(3-oxopyrrolidin-1-yl)benzoate;tert-butyl 4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzoate;hydride;oxido formate;pyridin-3-amine;4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzoic acid;pyrrolidin-3-ol

C115H143FK2N18O17 — CID 161001007

About dipotassium;N-(2-aminophenyl)-4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzamide;benzene-1,2-diamine;tert-butyl 4-fluorobenzoate;tert-butyl 4-(3-hydroxypyrrolidin-1-yl)benzoate;tert-butyl 4-(3-oxopyrrolidin-1-yl)benzoate;tert-butyl 4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzoate;hydride;oxido formate;pyridin-3-amine;4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzoic acid;pyrrolidin-3-ol

dipotassium;N-(2-aminophenyl)-4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzamide;benzene-1,2-diamine;tert-butyl 4-fluorobenzoate;tert-butyl 4-(3-hydroxypyrrolidin-1-yl)benzoate;tert-butyl 4-(3-oxopyrrolidin-1-yl)benzoate;tert-butyl 4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzoate;hydride;oxido formate;pyridin-3-amine;4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzoic acid;pyrrolidin-3-ol (PubChem CID 161001007) has the molecular formula C115H143FK2N18O17 and a molecular weight of 2146.71 g/mol. Its IUPAC name is dipotassium;N-(2-aminophenyl)-4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzamide;benzene-1,2-diamine;tert-butyl 4-fluorobenzoate;tert-butyl 4-(3-hydroxypyrrolidin-1-yl)benzoate;tert-butyl 4-(3-oxopyrrolidin-1-yl)benzoate;tert-butyl 4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzoate;hydride;oxido formate;pyridin-3-amine;4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzoic acid;pyrrolidin-3-ol.

Molecular Properties

• Compound Name: dipotassium;N-(2-aminophenyl)-4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzamide;benzene-1,2-diamine;tert-butyl 4-fluorobenzoate;tert-butyl 4-(3-hydroxypyrrolidin-1-yl)benzoate;tert-butyl 4-(3-oxopyrrolidin-1-yl)benzoate;tert-butyl 4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzoate;hydride;oxido formate;pyridin-3-amine;4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzoic acid;pyrrolidin-3-ol
• PubChem CID: 161001007
• Molecular Formula: C115H143FK2N18O17
• Molecular Weight: 2146.71 g/mol
• Exact Mass: 2145.01
• IUPAC Name: dipotassium;N-(2-aminophenyl)-4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzamide;benzene-1,2-diamine;tert-butyl 4-fluorobenzoate;tert-butyl 4-(3-hydroxypyrrolidin-1-yl)benzoate;tert-butyl 4-(3-oxopyrrolidin-1-yl)benzoate;tert-butyl 4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzoate;hydride;oxido formate;pyridin-3-amine;4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzoic acid;pyrrolidin-3-ol
• SMILES: CC(C)(C)OC(=O)c1ccc(F)cc1.CC(C)(C)OC(=O)c1ccc(N2CCC(=O)C2)cc1.CC(C)(C)OC(=O)c1ccc(N2CCC(Nc3cccnc3)C2)cc1.CC(C)(C)OC(=O)c1ccc(N2CCC(O)C2)cc1.Nc1ccccc1N.Nc1ccccc1NC(=O)c1ccc(N2CCC(Nc3cccnc3)C2)cc1.Nc1cccnc1.O=C(O)c1ccc(N2CCC(Nc3cccnc3)C2)cc1.O=CO[O-].OC1CCNC1.[H-].[K+].[K+]
• InChI: InChI=1S/C22H23N5O.C20H25N3O2.C16H17N3O2.C15H21NO3.C15H19NO3.C11H13FO2.C6H8N2.C5H6N2.C4H9NO.CH2O3.2K.H/c23-20-5-1-2-6-21(20)26-22(28)16-7-9-19(10-8-16)27-13-11-18(15-27)25-17-4-3-12-24-14-17;1-20(2,3)25-19(24)15-6-8-18(9-7-15)23-12-10-17(14-23)22-16-5-4-11-21-13-16;20-16(21)12-3-5-15(6-4-12)19-9-7-14(11-19)18-13-2-1-8-17-10-13;2*1-15(2,3)19-14(18)11-4-6-12(7-5-11)16-9-8-13(17)10-16;1-11(2,3)14-10(13)8-4-6-9(12)7-5-8;7-5-3-1-2-4-6(5)8;6-5-2-1-3-7-4-5;6-4-1-2-5-3-4;2-1-4-3;;;/h1-10,12,14,18,25H,11,13,15,23H2,(H,26,28);4-9,11,13,17,22H,10,12,14H2,1-3H3;1-6,8,10,14,18H,7,9,11H2,(H,20,21);4-7,13,17H,8-10H2,1-3H3;4-7H,8-10H2,1-3H3;4-7H,1-3H3;1-4H,7-8H2;1-4H,6H2;4-6H,1-3H2;1,3H;;;/q;;;;;;;;;;2*+1;-1/p-1
• InChIKey: KCOVVFAVPYETLK-UHFFFAOYSA-M
• XLogP: 10.63
• TPSA: 498.45 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 33
• Rotatable Bonds: 19
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2146.71
LogP ≤ 5	10.63
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;N-(2-aminophenyl)-4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzamide;benzene-1,2-diamine;tert-butyl 4-fluorobenzoate;tert-butyl 4-(3-hydroxypyrrolidin-1-yl)benzoate;tert-butyl 4-(3-oxopyrrolidin-1-yl)benzoate;tert-butyl 4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzoate;hydride;oxido formate;pyridin-3-amine;4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzoic acid;pyrrolidin-3-ol?

The IUPAC name of dipotassium;N-(2-aminophenyl)-4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzamide;benzene-1,2-diamine;tert-butyl 4-fluorobenzoate;tert-butyl 4-(3-hydroxypyrrolidin-1-yl)benzoate;tert-butyl 4-(3-oxopyrrolidin-1-yl)benzoate;tert-butyl 4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzoate;hydride;oxido formate;pyridin-3-amine;4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzoic acid;pyrrolidin-3-ol (CID 161001007) is dipotassium;N-(2-aminophenyl)-4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzamide;benzene-1,2-diamine;tert-butyl 4-fluorobenzoate;tert-butyl 4-(3-hydroxypyrrolidin-1-yl)benzoate;tert-butyl 4-(3-oxopyrrolidin-1-yl)benzoate;tert-butyl 4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzoate;hydride;oxido formate;pyridin-3-amine;4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzoic acid;pyrrolidin-3-ol.

What is the SMILES notation for dipotassium;N-(2-aminophenyl)-4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzamide;benzene-1,2-diamine;tert-butyl 4-fluorobenzoate;tert-butyl 4-(3-hydroxypyrrolidin-1-yl)benzoate;tert-butyl 4-(3-oxopyrrolidin-1-yl)benzoate;tert-butyl 4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzoate;hydride;oxido formate;pyridin-3-amine;4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzoic acid;pyrrolidin-3-ol?

The canonical SMILES for dipotassium;N-(2-aminophenyl)-4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzamide;benzene-1,2-diamine;tert-butyl 4-fluorobenzoate;tert-butyl 4-(3-hydroxypyrrolidin-1-yl)benzoate;tert-butyl 4-(3-oxopyrrolidin-1-yl)benzoate;tert-butyl 4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzoate;hydride;oxido formate;pyridin-3-amine;4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzoic acid;pyrrolidin-3-ol is CC(C)(C)OC(=O)c1ccc(F)cc1.CC(C)(C)OC(=O)c1ccc(N2CCC(=O)C2)cc1.CC(C)(C)OC(=O)c1ccc(N2CCC(Nc3cccnc3)C2)cc1.CC(C)(C)OC(=O)c1ccc(N2CCC(O)C2)cc1.Nc1ccccc1N.Nc1ccccc1NC(=O)c1ccc(N2CCC(Nc3cccnc3)C2)cc1.Nc1cccnc1.O=C(O)c1ccc(N2CCC(Nc3cccnc3)C2)cc1.O=CO[O-].OC1CCNC1.[H-].[K+].[K+].

What is the InChIKey of dipotassium;N-(2-aminophenyl)-4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzamide;benzene-1,2-diamine;tert-butyl 4-fluorobenzoate;tert-butyl 4-(3-hydroxypyrrolidin-1-yl)benzoate;tert-butyl 4-(3-oxopyrrolidin-1-yl)benzoate;tert-butyl 4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzoate;hydride;oxido formate;pyridin-3-amine;4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzoic acid;pyrrolidin-3-ol?

The InChIKey is KCOVVFAVPYETLK-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H23N5O.C20H25N3O2.C16H17N3O2.C15H21NO3.C15H19NO3.C11H13FO2.C6H8N2.C5H6N2.C4H9NO.CH2O3.2K.H/c23-20-5-1-2-6-21(20)26-22(28)16-7-9-19(10-8-16)27-13-11-18(15-27)25-17-4-3-12-24-14-17;1-20(2,3)25-19(24)15-6-8-18(9-7-15)23-12-10-17(14-23)22-16-5-4-11-21-13-16;20-16(21)12-3-5-15(6-4-12)19-9-7-14(11-19)18-13-2-1-8-17-10-13;2*1-15(2,3)19-14(18)11-4-6-12(7-5-11)16-9-8-13(17)10-16;1-11(2,3)14-10(13)8-4-6-9(12)7-5-8;7-5-3-1-2-4-6(5)8;6-5-2-1-3-7-4-5;6-4-1-2-5-3-4;2-1-4-3;;;/h1-10,12,14,18,25H,11,13,15,23H2,(H,26,28);4-9,11,13,17,22H,10,12,14H2,1-3H3;1-6,8,10,14,18H,7,9,11H2,(H,20,21);4-7,13,17H,8-10H2,1-3H3;4-7H,8-10H2,1-3H3;4-7H,1-3H3;1-4H,7-8H2;1-4H,6H2;4-6H,1-3H2;1,3H;;;/q;;;;;;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;N-(2-aminophenyl)-4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzamide;benzene-1,2-diamine;tert-butyl 4-fluorobenzoate;tert-butyl 4-(3-hydroxypyrrolidin-1-yl)benzoate;tert-butyl 4-(3-oxopyrrolidin-1-yl)benzoate;tert-butyl 4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzoate;hydride;oxido formate;pyridin-3-amine;4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzoic acid;pyrrolidin-3-ol?

dipotassium;N-(2-aminophenyl)-4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzamide;benzene-1,2-diamine;tert-butyl 4-fluorobenzoate;tert-butyl 4-(3-hydroxypyrrolidin-1-yl)benzoate;tert-butyl 4-(3-oxopyrrolidin-1-yl)benzoate;tert-butyl 4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzoate;hydride;oxido formate;pyridin-3-amine;4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzoic acid;pyrrolidin-3-ol has a molecular weight of 2146.71 g/mol, XLogP of 10.63, 19 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;N-(2-aminophenyl)-4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzamide;benzene-1,2-diamine;tert-butyl 4-fluorobenzoate;tert-butyl 4-(3-hydroxypyrrolidin-1-yl)benzoate;tert-butyl 4-(3-oxopyrrolidin-1-yl)benzoate;tert-butyl 4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzoate;hydride;oxido formate;pyridin-3-amine;4-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]benzoic acid;pyrrolidin-3-ol is sourced from PubChem (CID 161001007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).