N-(2-aminophenyl)-4-[(3S)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]benzamide;tert-butyl 4-[(3S)-3-[methyl(pyridin-2-yl)amino]pyrrolidin-1-yl]benzoate;tert-butyl 4-[(3S)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]benzoate;1-tert-butylsulfonyl-4-nitrobenzene;1-(4-fluorophenyl)ethanone;bis(1-[4-[(3R)-3-hydroxypyrrolidin-1-yl]phenyl]ethanone);methane;2-methylpyridine;pyridin-2-amine;(3R)-pyrrolidin-3-ol

C121H151FN18O15S — CID 158374877

About N-(2-aminophenyl)-4-[(3S)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]benzamide;tert-butyl 4-[(3S)-3-[methyl(pyridin-2-yl)amino]pyrrolidin-1-yl]benzoate;tert-butyl 4-[(3S)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]benzoate;1-tert-butylsulfonyl-4-nitrobenzene;1-(4-fluorophenyl)ethanone;bis(1-[4-[(3R)-3-hydroxypyrrolidin-1-yl]phenyl]ethanone);methane;2-methylpyridine;pyridin-2-amine;(3R)-pyrrolidin-3-ol

N-(2-aminophenyl)-4-[(3S)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]benzamide;tert-butyl 4-[(3S)-3-[methyl(pyridin-2-yl)amino]pyrrolidin-1-yl]benzoate;tert-butyl 4-[(3S)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]benzoate;1-tert-butylsulfonyl-4-nitrobenzene;1-(4-fluorophenyl)ethanone;bis(1-[4-[(3R)-3-hydroxypyrrolidin-1-yl]phenyl]ethanone);methane;2-methylpyridine;pyridin-2-amine;(3R)-pyrrolidin-3-ol (PubChem CID 158374877) has the molecular formula C121H151FN18O15S and a molecular weight of 2148.71 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(3S)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]benzamide;tert-butyl 4-[(3S)-3-[methyl(pyridin-2-yl)amino]pyrrolidin-1-yl]benzoate;tert-butyl 4-[(3S)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]benzoate;1-tert-butylsulfonyl-4-nitrobenzene;1-(4-fluorophenyl)ethanone;bis(1-[4-[(3R)-3-hydroxypyrrolidin-1-yl]phenyl]ethanone);methane;2-methylpyridine;pyridin-2-amine;(3R)-pyrrolidin-3-ol.

Molecular Properties

• Compound Name: N-(2-aminophenyl)-4-[(3S)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]benzamide;tert-butyl 4-[(3S)-3-[methyl(pyridin-2-yl)amino]pyrrolidin-1-yl]benzoate;tert-butyl 4-[(3S)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]benzoate;1-tert-butylsulfonyl-4-nitrobenzene;1-(4-fluorophenyl)ethanone;bis(1-[4-[(3R)-3-hydroxypyrrolidin-1-yl]phenyl]ethanone);methane;2-methylpyridine;pyridin-2-amine;(3R)-pyrrolidin-3-ol
• PubChem CID: 158374877
• Molecular Formula: C121H151FN18O15S
• Molecular Weight: 2148.71 g/mol
• Exact Mass: 2147.13
• IUPAC Name: N-(2-aminophenyl)-4-[(3S)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]benzamide;tert-butyl 4-[(3S)-3-[methyl(pyridin-2-yl)amino]pyrrolidin-1-yl]benzoate;tert-butyl 4-[(3S)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]benzoate;1-tert-butylsulfonyl-4-nitrobenzene;1-(4-fluorophenyl)ethanone;bis(1-[4-[(3R)-3-hydroxypyrrolidin-1-yl]phenyl]ethanone);methane;2-methylpyridine;pyridin-2-amine;(3R)-pyrrolidin-3-ol
• SMILES: C.CC(=O)c1ccc(F)cc1.CC(=O)c1ccc(N2CC[C@@H](O)C2)cc1.CC(=O)c1ccc(N2CC[C@@H](O)C2)cc1.CC(C)(C)OC(=O)c1ccc(N2CC[C@H](Nc3ccccn3)C2)cc1.CC(C)(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.CN(c1ccccn1)[C@H]1CCN(c2ccc(C(=O)OC(C)(C)C)cc2)C1.Cc1ccccn1.Nc1ccccc1NC(=O)c1ccc(N2CC[C@H](Nc3ccccn3)C2)cc1.Nc1ccccn1.O[C@@H]1CCNC1
• InChI: InChI=1S/C22H23N5O.C21H27N3O2.C20H25N3O2.2C12H15NO2.C10H13NO4S.C8H7FO.C6H7N.C5H6N2.C4H9NO.CH4/c23-19-5-1-2-6-20(19)26-22(28)16-8-10-18(11-9-16)27-14-12-17(15-27)25-21-7-3-4-13-24-21;1-21(2,3)26-20(25)16-8-10-17(11-9-16)24-14-12-18(15-24)23(4)19-7-5-6-13-22-19;1-20(2,3)25-19(24)15-7-9-17(10-8-15)23-13-11-16(14-23)22-18-6-4-5-12-21-18;2*1-9(14)10-2-4-11(5-3-10)13-7-6-12(15)8-13;1-10(2,3)16(14,15)9-6-4-8(5-7-9)11(12)13;1-6(10)7-2-4-8(9)5-3-7;1-6-4-2-3-5-7-6;6-5-3-1-2-4-7-5;6-4-1-2-5-3-4;/h1-11,13,17H,12,14-15,23H2,(H,24,25)(H,26,28);5-11,13,18H,12,14-15H2,1-4H3;4-10,12,16H,11,13-14H2,1-3H3,(H,21,22);2*2-5,12,15H,6-8H2,1H3;4-7H,1-3H3;2-5H,1H3;2-5H,1H3;1-4H,(H2,6,7);4-6H,1-3H2;1H4/t17-;18-;16-;2*12-;;;;;4-;/m00011....1./s1
• InChIKey: GVBJPCXLFDOEQU-VFNFHGIKSA-N
• XLogP: 20.23
• TPSA: 442.90 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 31
• Rotatable Bonds: 20
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2148.71
LogP ≤ 5	20.23
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[(3S)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]benzamide;tert-butyl 4-[(3S)-3-[methyl(pyridin-2-yl)amino]pyrrolidin-1-yl]benzoate;tert-butyl 4-[(3S)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]benzoate;1-tert-butylsulfonyl-4-nitrobenzene;1-(4-fluorophenyl)ethanone;bis(1-[4-[(3R)-3-hydroxypyrrolidin-1-yl]phenyl]ethanone);methane;2-methylpyridine;pyridin-2-amine;(3R)-pyrrolidin-3-ol?

The IUPAC name of N-(2-aminophenyl)-4-[(3S)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]benzamide;tert-butyl 4-[(3S)-3-[methyl(pyridin-2-yl)amino]pyrrolidin-1-yl]benzoate;tert-butyl 4-[(3S)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]benzoate;1-tert-butylsulfonyl-4-nitrobenzene;1-(4-fluorophenyl)ethanone;bis(1-[4-[(3R)-3-hydroxypyrrolidin-1-yl]phenyl]ethanone);methane;2-methylpyridine;pyridin-2-amine;(3R)-pyrrolidin-3-ol (CID 158374877) is N-(2-aminophenyl)-4-[(3S)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]benzamide;tert-butyl 4-[(3S)-3-[methyl(pyridin-2-yl)amino]pyrrolidin-1-yl]benzoate;tert-butyl 4-[(3S)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]benzoate;1-tert-butylsulfonyl-4-nitrobenzene;1-(4-fluorophenyl)ethanone;bis(1-[4-[(3R)-3-hydroxypyrrolidin-1-yl]phenyl]ethanone);methane;2-methylpyridine;pyridin-2-amine;(3R)-pyrrolidin-3-ol.

What is the SMILES notation for N-(2-aminophenyl)-4-[(3S)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]benzamide;tert-butyl 4-[(3S)-3-[methyl(pyridin-2-yl)amino]pyrrolidin-1-yl]benzoate;tert-butyl 4-[(3S)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]benzoate;1-tert-butylsulfonyl-4-nitrobenzene;1-(4-fluorophenyl)ethanone;bis(1-[4-[(3R)-3-hydroxypyrrolidin-1-yl]phenyl]ethanone);methane;2-methylpyridine;pyridin-2-amine;(3R)-pyrrolidin-3-ol?

The canonical SMILES for N-(2-aminophenyl)-4-[(3S)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]benzamide;tert-butyl 4-[(3S)-3-[methyl(pyridin-2-yl)amino]pyrrolidin-1-yl]benzoate;tert-butyl 4-[(3S)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]benzoate;1-tert-butylsulfonyl-4-nitrobenzene;1-(4-fluorophenyl)ethanone;bis(1-[4-[(3R)-3-hydroxypyrrolidin-1-yl]phenyl]ethanone);methane;2-methylpyridine;pyridin-2-amine;(3R)-pyrrolidin-3-ol is C.CC(=O)c1ccc(F)cc1.CC(=O)c1ccc(N2CC[C@@H](O)C2)cc1.CC(=O)c1ccc(N2CC[C@@H](O)C2)cc1.CC(C)(C)OC(=O)c1ccc(N2CC[C@H](Nc3ccccn3)C2)cc1.CC(C)(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.CN(c1ccccn1)[C@H]1CCN(c2ccc(C(=O)OC(C)(C)C)cc2)C1.Cc1ccccn1.Nc1ccccc1NC(=O)c1ccc(N2CC[C@H](Nc3ccccn3)C2)cc1.Nc1ccccn1.O[C@@H]1CCNC1.

What is the InChIKey of N-(2-aminophenyl)-4-[(3S)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]benzamide;tert-butyl 4-[(3S)-3-[methyl(pyridin-2-yl)amino]pyrrolidin-1-yl]benzoate;tert-butyl 4-[(3S)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]benzoate;1-tert-butylsulfonyl-4-nitrobenzene;1-(4-fluorophenyl)ethanone;bis(1-[4-[(3R)-3-hydroxypyrrolidin-1-yl]phenyl]ethanone);methane;2-methylpyridine;pyridin-2-amine;(3R)-pyrrolidin-3-ol?

The InChIKey is GVBJPCXLFDOEQU-VFNFHGIKSA-N. The full InChI is InChI=1S/C22H23N5O.C21H27N3O2.C20H25N3O2.2C12H15NO2.C10H13NO4S.C8H7FO.C6H7N.C5H6N2.C4H9NO.CH4/c23-19-5-1-2-6-20(19)26-22(28)16-8-10-18(11-9-16)27-14-12-17(15-27)25-21-7-3-4-13-24-21;1-21(2,3)26-20(25)16-8-10-17(11-9-16)24-14-12-18(15-24)23(4)19-7-5-6-13-22-19;1-20(2,3)25-19(24)15-7-9-17(10-8-15)23-13-11-16(14-23)22-18-6-4-5-12-21-18;2*1-9(14)10-2-4-11(5-3-10)13-7-6-12(15)8-13;1-10(2,3)16(14,15)9-6-4-8(5-7-9)11(12)13;1-6(10)7-2-4-8(9)5-3-7;1-6-4-2-3-5-7-6;6-5-3-1-2-4-7-5;6-4-1-2-5-3-4;/h1-11,13,17H,12,14-15,23H2,(H,24,25)(H,26,28);5-11,13,18H,12,14-15H2,1-4H3;4-10,12,16H,11,13-14H2,1-3H3,(H,21,22);2*2-5,12,15H,6-8H2,1H3;4-7H,1-3H3;2-5H,1H3;2-5H,1H3;1-4H,(H2,6,7);4-6H,1-3H2;1H4/t17-;18-;16-;2*12-;;;;;4-;/m00011....1./s1.

What are the key properties of N-(2-aminophenyl)-4-[(3S)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]benzamide;tert-butyl 4-[(3S)-3-[methyl(pyridin-2-yl)amino]pyrrolidin-1-yl]benzoate;tert-butyl 4-[(3S)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]benzoate;1-tert-butylsulfonyl-4-nitrobenzene;1-(4-fluorophenyl)ethanone;bis(1-[4-[(3R)-3-hydroxypyrrolidin-1-yl]phenyl]ethanone);methane;2-methylpyridine;pyridin-2-amine;(3R)-pyrrolidin-3-ol?

N-(2-aminophenyl)-4-[(3S)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]benzamide;tert-butyl 4-[(3S)-3-[methyl(pyridin-2-yl)amino]pyrrolidin-1-yl]benzoate;tert-butyl 4-[(3S)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]benzoate;1-tert-butylsulfonyl-4-nitrobenzene;1-(4-fluorophenyl)ethanone;bis(1-[4-[(3R)-3-hydroxypyrrolidin-1-yl]phenyl]ethanone);methane;2-methylpyridine;pyridin-2-amine;(3R)-pyrrolidin-3-ol has a molecular weight of 2148.71 g/mol, XLogP of 20.23, 20 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminophenyl)-4-[(3S)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]benzamide;tert-butyl 4-[(3S)-3-[methyl(pyridin-2-yl)amino]pyrrolidin-1-yl]benzoate;tert-butyl 4-[(3S)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]benzoate;1-tert-butylsulfonyl-4-nitrobenzene;1-(4-fluorophenyl)ethanone;bis(1-[4-[(3R)-3-hydroxypyrrolidin-1-yl]phenyl]ethanone);methane;2-methylpyridine;pyridin-2-amine;(3R)-pyrrolidin-3-ol is sourced from PubChem (CID 158374877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).