(3R)-3-ethyl-N-[3-[2-[(4-methoxyphenyl)methyl-methylamino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-(methylamino)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(4-methoxyphenyl)methyl]-N-methyl-6-morpholin-4-ylpyridin-2-amine;1-methoxy-4-propylbenzene;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane

C113H150BF4I2N17O12S — CID 157343904

About (3R)-3-ethyl-N-[3-[2-[(4-methoxyphenyl)methyl-methylamino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-(methylamino)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(4-methoxyphenyl)methyl]-N-methyl-6-morpholin-4-ylpyridin-2-amine;1-methoxy-4-propylbenzene;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane

(3R)-3-ethyl-N-[3-[2-[(4-methoxyphenyl)methyl-methylamino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-(methylamino)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(4-methoxyphenyl)methyl]-N-methyl-6-morpholin-4-ylpyridin-2-amine;1-methoxy-4-propylbenzene;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane (PubChem CID 157343904) has the molecular formula C113H150BF4I2N17O12S and a molecular weight of 2311.23 g/mol. Its IUPAC name is (3R)-3-ethyl-N-[3-[2-[(4-methoxyphenyl)methyl-methylamino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-(methylamino)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(4-methoxyphenyl)methyl]-N-methyl-6-morpholin-4-ylpyridin-2-amine;1-methoxy-4-propylbenzene;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane.

Molecular Properties

• Compound Name: (3R)-3-ethyl-N-[3-[2-[(4-methoxyphenyl)methyl-methylamino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-(methylamino)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(4-methoxyphenyl)methyl]-N-methyl-6-morpholin-4-ylpyridin-2-amine;1-methoxy-4-propylbenzene;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane
• PubChem CID: 157343904
• Molecular Formula: C113H150BF4I2N17O12S
• Molecular Weight: 2311.23 g/mol
• Exact Mass: 2309.95
• IUPAC Name: (3R)-3-ethyl-N-[3-[2-[(4-methoxyphenyl)methyl-methylamino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-(methylamino)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(4-methoxyphenyl)methyl]-N-methyl-6-morpholin-4-ylpyridin-2-amine;1-methoxy-4-propylbenzene;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane
• SMILES: CCCc1ccc(OC)cc1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N(C)Cc4ccc(OC)cc4)nc(N4CCOCC4)c3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(NC)nc(N4CCOCC4)c3)c2)C1.COc1ccc(CN(C)c2cc(I)cc(N3CCOCC3)n2)cc1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Fc1cc(I)cc(N2CCOCC2)n1.S
• InChI: InChI=1S/C32H41N5O3.C24H33N5O2.C20H28BF3N2O3.C18H22IN3O2.C10H14O.C9H10FIN2O.H2S/c1-5-24-12-13-37(22-24)32(38)33-27-9-6-23(2)29(20-27)26-18-30(34-31(19-26)36-14-16-40-17-15-36)35(3)21-25-7-10-28(39-4)11-8-25;1-4-18-7-8-29(16-18)24(30)26-20-6-5-17(2)21(15-20)19-13-22(25-3)27-23(14-19)28-9-11-31-12-10-28;1-13-6-7-15(10-16(13)21-28-18(2,3)19(4,5)29-21)25-17(27)26-9-8-14(12-26)11-20(22,23)24;1-21(13-14-3-5-16(23-2)6-4-14)17-11-15(19)12-18(20-17)22-7-9-24-10-8-22;1-3-4-9-5-7-10(11-2)8-6-9;10-8-5-7(11)6-9(12-8)13-1-3-14-4-2-13;/h6-11,18-20,24H,5,12-17,21-22H2,1-4H3,(H,33,38);5-6,13-15,18H,4,7-12,16H2,1-3H3,(H,25,27)(H,26,30);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);3-6,11-12H,7-10,13H2,1-2H3;5-8H,3-4H2,1-2H3;5-6H,1-4H2;1H2/t24-;18-;14-;;;;/m110..../s1
• InChIKey: BGSLKLHMCCYMEH-BTZNERKJSA-N
• XLogP: 21.69
• TPSA: 263.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 25
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2311.23
LogP ≤ 5	21.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-N-[3-[2-[(4-methoxyphenyl)methyl-methylamino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-(methylamino)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(4-methoxyphenyl)methyl]-N-methyl-6-morpholin-4-ylpyridin-2-amine;1-methoxy-4-propylbenzene;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane?

The IUPAC name of (3R)-3-ethyl-N-[3-[2-[(4-methoxyphenyl)methyl-methylamino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-(methylamino)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(4-methoxyphenyl)methyl]-N-methyl-6-morpholin-4-ylpyridin-2-amine;1-methoxy-4-propylbenzene;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane (CID 157343904) is (3R)-3-ethyl-N-[3-[2-[(4-methoxyphenyl)methyl-methylamino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-(methylamino)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(4-methoxyphenyl)methyl]-N-methyl-6-morpholin-4-ylpyridin-2-amine;1-methoxy-4-propylbenzene;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane.

What is the SMILES notation for (3R)-3-ethyl-N-[3-[2-[(4-methoxyphenyl)methyl-methylamino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-(methylamino)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(4-methoxyphenyl)methyl]-N-methyl-6-morpholin-4-ylpyridin-2-amine;1-methoxy-4-propylbenzene;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane?

The canonical SMILES for (3R)-3-ethyl-N-[3-[2-[(4-methoxyphenyl)methyl-methylamino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-(methylamino)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(4-methoxyphenyl)methyl]-N-methyl-6-morpholin-4-ylpyridin-2-amine;1-methoxy-4-propylbenzene;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane is CCCc1ccc(OC)cc1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N(C)Cc4ccc(OC)cc4)nc(N4CCOCC4)c3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(NC)nc(N4CCOCC4)c3)c2)C1.COc1ccc(CN(C)c2cc(I)cc(N3CCOCC3)n2)cc1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Fc1cc(I)cc(N2CCOCC2)n1.S.

What is the InChIKey of (3R)-3-ethyl-N-[3-[2-[(4-methoxyphenyl)methyl-methylamino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-(methylamino)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(4-methoxyphenyl)methyl]-N-methyl-6-morpholin-4-ylpyridin-2-amine;1-methoxy-4-propylbenzene;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane?

The InChIKey is BGSLKLHMCCYMEH-BTZNERKJSA-N. The full InChI is InChI=1S/C32H41N5O3.C24H33N5O2.C20H28BF3N2O3.C18H22IN3O2.C10H14O.C9H10FIN2O.H2S/c1-5-24-12-13-37(22-24)32(38)33-27-9-6-23(2)29(20-27)26-18-30(34-31(19-26)36-14-16-40-17-15-36)35(3)21-25-7-10-28(39-4)11-8-25;1-4-18-7-8-29(16-18)24(30)26-20-6-5-17(2)21(15-20)19-13-22(25-3)27-23(14-19)28-9-11-31-12-10-28;1-13-6-7-15(10-16(13)21-28-18(2,3)19(4,5)29-21)25-17(27)26-9-8-14(12-26)11-20(22,23)24;1-21(13-14-3-5-16(23-2)6-4-14)17-11-15(19)12-18(20-17)22-7-9-24-10-8-22;1-3-4-9-5-7-10(11-2)8-6-9;10-8-5-7(11)6-9(12-8)13-1-3-14-4-2-13;/h6-11,18-20,24H,5,12-17,21-22H2,1-4H3,(H,33,38);5-6,13-15,18H,4,7-12,16H2,1-3H3,(H,25,27)(H,26,30);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);3-6,11-12H,7-10,13H2,1-2H3;5-8H,3-4H2,1-2H3;5-6H,1-4H2;1H2/t24-;18-;14-;;;;/m110..../s1.

What are the key properties of (3R)-3-ethyl-N-[3-[2-[(4-methoxyphenyl)methyl-methylamino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-(methylamino)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(4-methoxyphenyl)methyl]-N-methyl-6-morpholin-4-ylpyridin-2-amine;1-methoxy-4-propylbenzene;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane?

(3R)-3-ethyl-N-[3-[2-[(4-methoxyphenyl)methyl-methylamino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-(methylamino)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(4-methoxyphenyl)methyl]-N-methyl-6-morpholin-4-ylpyridin-2-amine;1-methoxy-4-propylbenzene;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane has a molecular weight of 2311.23 g/mol, XLogP of 21.69, 25 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-ethyl-N-[3-[2-[(4-methoxyphenyl)methyl-methylamino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-(methylamino)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(4-methoxyphenyl)methyl]-N-methyl-6-morpholin-4-ylpyridin-2-amine;1-methoxy-4-propylbenzene;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane is sourced from PubChem (CID 157343904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).