6-[4-[3-(aminomethyl)phenyl]phenoxy]pyridin-3-amine;6-[3-(4-aminophenoxy)-4-phenylphenoxy]pyridin-3-amine;6-[3-[(5-amino-2-pyridinyl)oxy]-4-phenylphenoxy]pyridin-3-amine;2-[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]acetamide;[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]methanol;6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine
C114H98N18O10S — CID 165100094
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC6-[4-[3-(aminomethyl)phenyl]phenoxy]pyridin-3-amine;6-[3-(4-aminophenoxy)-4-phenylphenoxy]pyridin-3-amine;6-[3-[(5-amino-2-pyridinyl)oxy]-4-phenylphenoxy]pyridin-3-amine;2-[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]acetamide;[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]methanol;6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine
SMILESNC(=O)Cc1cccc(-c2ccc(Oc3ccc(N)cn3)cc2)c1.NCc1cccc(-c2ccc(Oc3ccc(N)cn3)cc2)c1.Nc1ccc(Oc2cc(Oc3ccc(N)cn3)ccc2-c2ccccc2)cc1.Nc1ccc(Oc2ccc(-c3cccc(CO)c3)cc2)nc1.Nc1ccc(Oc2ccc(-c3ccccc3)c(Oc3ccc(N)cn3)c2)nc1.Nc1ccc(Oc2ccc(-c3nccs3)cc2)nc1
InChIInChI=1S/C23H19N3O2.C22H18N4O2.C19H17N3O2.C18H17N3O.C18H16N2O2.C14H11N3OS/c24-17-6-9-19(10-7-17)27-22-14-20(28-23-13-8-18(25)15-26-23)11-12-21(22)16-4-2-1-3-5-16;23-16-6-10-21(25-13-16)27-18-8-9-19(15-4-2-1-3-5-15)20(12-18)28-22-11-7-17(24)14-26-22;20-16-6-9-19(22-12-16)24-17-7-4-14(5-8-17)15-3-1-2-13(10-15)11-18(21)23;19-11-13-2-1-3-15(10-13)14-4-7-17(8-5-14)22-18-9-6-16(20)12-21-18;19-16-6-9-18(20-11-16)22-17-7-4-14(5-8-17)15-3-1-2-13(10-15)12-21;15-11-3-6-13(17-9-11)18-12-4-1-10(2-5-12)14-16-7-8-19-14/h1-15H,24-25H2;1-14H,23-24H2;1-10,12H,11,20H2,(H2,21,23);1-10,12H,11,19-20H2;1-11,21H,12,19H2;1-9H,15H2
InChIKeyYEILOOLEGPDPSF-UHFFFAOYSA-N
MW1912.22 g/mol
LogP24.32
Rot. Bonds26
About 6-[4-[3-(aminomethyl)phenyl]phenoxy]pyridin-3-amine;6-[3-(4-aminophenoxy)-4-phenylphenoxy]pyridin-3-amine;6-[3-[(5-amino-2-pyridinyl)oxy]-4-phenylphenoxy]pyridin-3-amine;2-[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]acetamide;[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]methanol;6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine
6-[4-[3-(aminomethyl)phenyl]phenoxy]pyridin-3-amine;6-[3-(4-aminophenoxy)-4-phenylphenoxy]pyridin-3-amine;6-[3-[(5-amino-2-pyridinyl)oxy]-4-phenylphenoxy]pyridin-3-amine;2-[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]acetamide;[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]methanol;6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine (PubChem CID 165100094) has the molecular formula C114H98N18O10S and a molecular weight of 1912.22 g/mol. Its IUPAC name is 6-[4-[3-(aminomethyl)phenyl]phenoxy]pyridin-3-amine;6-[3-(4-aminophenoxy)-4-phenylphenoxy]pyridin-3-amine;6-[3-[(5-amino-2-pyridinyl)oxy]-4-phenylphenoxy]pyridin-3-amine;2-[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]acetamide;[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]methanol;6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine.
Molecular Properties
| Compound Name | 6-[4-[3-(aminomethyl)phenyl]phenoxy]pyridin-3-amine;6-[3-(4-aminophenoxy)-4-phenylphenoxy]pyridin-3-amine;6-[3-[(5-amino-2-pyridinyl)oxy]-4-phenylphenoxy]pyridin-3-amine;2-[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]acetamide;[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]methanol;6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine |
|---|---|
| PubChem CID | 165100094 |
| Molecular Formula | C114H98N18O10S |
| Molecular Weight | 1912.22 g/mol |
| Exact Mass | 1910.74 |
| IUPAC Name | 6-[4-[3-(aminomethyl)phenyl]phenoxy]pyridin-3-amine;6-[3-(4-aminophenoxy)-4-phenylphenoxy]pyridin-3-amine;6-[3-[(5-amino-2-pyridinyl)oxy]-4-phenylphenoxy]pyridin-3-amine;2-[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]acetamide;[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]methanol;6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine |
| SMILES | NC(=O)Cc1cccc(-c2ccc(Oc3ccc(N)cn3)cc2)c1.NCc1cccc(-c2ccc(Oc3ccc(N)cn3)cc2)c1.Nc1ccc(Oc2cc(Oc3ccc(N)cn3)ccc2-c2ccccc2)cc1.Nc1ccc(Oc2ccc(-c3cccc(CO)c3)cc2)nc1.Nc1ccc(Oc2ccc(-c3ccccc3)c(Oc3ccc(N)cn3)c2)nc1.Nc1ccc(Oc2ccc(-c3nccs3)cc2)nc1 |
| InChI | InChI=1S/C23H19N3O2.C22H18N4O2.C19H17N3O2.C18H17N3O.C18H16N2O2.C14H11N3OS/c24-17-6-9-19(10-7-17)27-22-14-20(28-23-13-8-18(25)15-26-23)11-12-21(22)16-4-2-1-3-5-16;23-16-6-10-21(25-13-16)27-18-8-9-19(15-4-2-1-3-5-15)20(12-18)28-22-11-7-17(24)14-26-22;20-16-6-9-19(22-12-16)24-17-7-4-14(5-8-17)15-3-1-2-13(10-15)11-18(21)23;19-11-13-2-1-3-15(10-13)14-4-7-17(8-5-14)22-18-9-6-16(20)12-21-18;19-16-6-9-18(20-11-16)22-17-7-4-14(5-8-17)15-3-1-2-13(10-15)12-21;15-11-3-6-13(17-9-11)18-12-4-1-10(2-5-12)14-16-7-8-19-14/h1-15H,24-25H2;1-14H,23-24H2;1-10,12H,11,20H2,(H2,21,23);1-10,12H,11,19-20H2;1-11,21H,12,19H2;1-9H,15H2 |
| InChIKey | YEILOOLEGPDPSF-UHFFFAOYSA-N |
| XLogP | 24.32 |
| TPSA | 474.46 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 143 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1912.22 |
| LogP ≤ 5 | 24.32 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 28 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_OC_no_alk_A(8)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 6-[4-[3-(aminomethyl)phenyl]phenoxy]pyridin-3-amine;6-[3-(4-aminophenoxy)-4-phenylphenoxy]pyridin-3-amine;6-[3-[(5-amino-2-pyridinyl)oxy]-4-phenylphenoxy]pyridin-3-amine;2-[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]acetamide;[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]methanol;6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine?
The IUPAC name of 6-[4-[3-(aminomethyl)phenyl]phenoxy]pyridin-3-amine;6-[3-(4-aminophenoxy)-4-phenylphenoxy]pyridin-3-amine;6-[3-[(5-amino-2-pyridinyl)oxy]-4-phenylphenoxy]pyridin-3-amine;2-[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]acetamide;[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]methanol;6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine (CID 165100094) is 6-[4-[3-(aminomethyl)phenyl]phenoxy]pyridin-3-amine;6-[3-(4-aminophenoxy)-4-phenylphenoxy]pyridin-3-amine;6-[3-[(5-amino-2-pyridinyl)oxy]-4-phenylphenoxy]pyridin-3-amine;2-[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]acetamide;[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]methanol;6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine.
What is the SMILES notation for 6-[4-[3-(aminomethyl)phenyl]phenoxy]pyridin-3-amine;6-[3-(4-aminophenoxy)-4-phenylphenoxy]pyridin-3-amine;6-[3-[(5-amino-2-pyridinyl)oxy]-4-phenylphenoxy]pyridin-3-amine;2-[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]acetamide;[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]methanol;6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine?
The canonical SMILES for 6-[4-[3-(aminomethyl)phenyl]phenoxy]pyridin-3-amine;6-[3-(4-aminophenoxy)-4-phenylphenoxy]pyridin-3-amine;6-[3-[(5-amino-2-pyridinyl)oxy]-4-phenylphenoxy]pyridin-3-amine;2-[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]acetamide;[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]methanol;6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine is NC(=O)Cc1cccc(-c2ccc(Oc3ccc(N)cn3)cc2)c1.NCc1cccc(-c2ccc(Oc3ccc(N)cn3)cc2)c1.Nc1ccc(Oc2cc(Oc3ccc(N)cn3)ccc2-c2ccccc2)cc1.Nc1ccc(Oc2ccc(-c3cccc(CO)c3)cc2)nc1.Nc1ccc(Oc2ccc(-c3ccccc3)c(Oc3ccc(N)cn3)c2)nc1.Nc1ccc(Oc2ccc(-c3nccs3)cc2)nc1.
What is the InChIKey of 6-[4-[3-(aminomethyl)phenyl]phenoxy]pyridin-3-amine;6-[3-(4-aminophenoxy)-4-phenylphenoxy]pyridin-3-amine;6-[3-[(5-amino-2-pyridinyl)oxy]-4-phenylphenoxy]pyridin-3-amine;2-[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]acetamide;[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]methanol;6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine?
The InChIKey is YEILOOLEGPDPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2.C22H18N4O2.C19H17N3O2.C18H17N3O.C18H16N2O2.C14H11N3OS/c24-17-6-9-19(10-7-17)27-22-14-20(28-23-13-8-18(25)15-26-23)11-12-21(22)16-4-2-1-3-5-16;23-16-6-10-21(25-13-16)27-18-8-9-19(15-4-2-1-3-5-15)20(12-18)28-22-11-7-17(24)14-26-22;20-16-6-9-19(22-12-16)24-17-7-4-14(5-8-17)15-3-1-2-13(10-15)11-18(21)23;19-11-13-2-1-3-15(10-13)14-4-7-17(8-5-14)22-18-9-6-16(20)12-21-18;19-16-6-9-18(20-11-16)22-17-7-4-14(5-8-17)15-3-1-2-13(10-15)12-21;15-11-3-6-13(17-9-11)18-12-4-1-10(2-5-12)14-16-7-8-19-14/h1-15H,24-25H2;1-14H,23-24H2;1-10,12H,11,20H2,(H2,21,23);1-10,12H,11,19-20H2;1-11,21H,12,19H2;1-9H,15H2.
What are the key properties of 6-[4-[3-(aminomethyl)phenyl]phenoxy]pyridin-3-amine;6-[3-(4-aminophenoxy)-4-phenylphenoxy]pyridin-3-amine;6-[3-[(5-amino-2-pyridinyl)oxy]-4-phenylphenoxy]pyridin-3-amine;2-[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]acetamide;[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]methanol;6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine?
6-[4-[3-(aminomethyl)phenyl]phenoxy]pyridin-3-amine;6-[3-(4-aminophenoxy)-4-phenylphenoxy]pyridin-3-amine;6-[3-[(5-amino-2-pyridinyl)oxy]-4-phenylphenoxy]pyridin-3-amine;2-[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]acetamide;[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]methanol;6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine has a molecular weight of 1912.22 g/mol, XLogP of 24.32, 26 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(aminomethyl)phenyl]phenoxy]pyridin-3-amine;6-[3-(4-aminophenoxy)-4-phenylphenoxy]pyridin-3-amine;6-[3-[(5-amino-2-pyridinyl)oxy]-4-phenylphenoxy]pyridin-3-amine;2-[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]acetamide;[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]methanol;6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine is sourced from PubChem (CID 165100094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 165100094 — identifiers, structure, computed properties (public domain)
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