6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[6-(furan-2-yl)pyridine-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[5-(furan-2-yl)thiophene-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid

C101H117N7O20S2 — CID 159798025

About 6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[6-(furan-2-yl)pyridine-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[5-(furan-2-yl)thiophene-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid

6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[6-(furan-2-yl)pyridine-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[5-(furan-2-yl)thiophene-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid (PubChem CID 159798025) has the molecular formula C101H117N7O20S2 and a molecular weight of 1813.21 g/mol. Its IUPAC name is 6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[6-(furan-2-yl)pyridine-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[5-(furan-2-yl)thiophene-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid.

Molecular Properties

• Compound Name: 6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[6-(furan-2-yl)pyridine-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[5-(furan-2-yl)thiophene-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid
• PubChem CID: 159798025
• Molecular Formula: C101H117N7O20S2
• Molecular Weight: 1813.21 g/mol
• Exact Mass: 1811.78
• IUPAC Name: 6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[6-(furan-2-yl)pyridine-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[5-(furan-2-yl)thiophene-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid
• SMILES: CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)cn1.CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)nc1.CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)s1.CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1cnc(-c2ccco2)s1
• InChI: InChI=1S/2C26H30N2O5.C25H29NO5S.C24H28N2O5S/c1-19(2)28(26(31)22-14-13-20(17-27-22)23-11-8-16-33-23)18-21-9-5-6-10-24(21)32-15-7-3-4-12-25(29)30;1-19(2)28(26(31)20-13-14-22(27-17-20)24-11-8-16-33-24)18-21-9-5-6-10-23(21)32-15-7-3-4-12-25(29)30;1-18(2)26(25(29)23-14-13-22(32-23)21-11-8-16-31-21)17-19-9-5-6-10-20(19)30-15-7-3-4-12-24(27)28;1-17(2)26(24(29)21-15-25-23(32-21)20-11-8-14-31-20)16-18-9-5-6-10-19(18)30-13-7-3-4-12-22(27)28/h2*5-6,8-11,13-14,16-17,19H,3-4,7,12,15,18H2,1-2H3,(H,29,30);5-6,8-11,13-14,16,18H,3-4,7,12,15,17H2,1-2H3,(H,27,28);5-6,8-11,14-15,17H,3-4,7,12-13,16H2,1-2H3,(H,27,28)
• InChIKey: NJKOMRVZYZOKJP-UHFFFAOYSA-N
• XLogP: 22.39
• TPSA: 358.59 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 48
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1813.21
LogP ≤ 5	22.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[6-(furan-2-yl)pyridine-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[5-(furan-2-yl)thiophene-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid?

The IUPAC name of 6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[6-(furan-2-yl)pyridine-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[5-(furan-2-yl)thiophene-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid (CID 159798025) is 6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[6-(furan-2-yl)pyridine-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[5-(furan-2-yl)thiophene-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid.

What is the SMILES notation for 6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[6-(furan-2-yl)pyridine-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[5-(furan-2-yl)thiophene-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid?

The canonical SMILES for 6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[6-(furan-2-yl)pyridine-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[5-(furan-2-yl)thiophene-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid is CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)cn1.CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)nc1.CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)s1.CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1cnc(-c2ccco2)s1.

What is the InChIKey of 6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[6-(furan-2-yl)pyridine-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[5-(furan-2-yl)thiophene-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid?

The InChIKey is NJKOMRVZYZOKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H30N2O5.C25H29NO5S.C24H28N2O5S/c1-19(2)28(26(31)22-14-13-20(17-27-22)23-11-8-16-33-23)18-21-9-5-6-10-24(21)32-15-7-3-4-12-25(29)30;1-19(2)28(26(31)20-13-14-22(27-17-20)24-11-8-16-33-24)18-21-9-5-6-10-23(21)32-15-7-3-4-12-25(29)30;1-18(2)26(25(29)23-14-13-22(32-23)21-11-8-16-31-21)17-19-9-5-6-10-20(19)30-15-7-3-4-12-24(27)28;1-17(2)26(24(29)21-15-25-23(32-21)20-11-8-14-31-20)16-18-9-5-6-10-19(18)30-13-7-3-4-12-22(27)28/h2*5-6,8-11,13-14,16-17,19H,3-4,7,12,15,18H2,1-2H3,(H,29,30);5-6,8-11,13-14,16,18H,3-4,7,12,15,17H2,1-2H3,(H,27,28);5-6,8-11,14-15,17H,3-4,7,12-13,16H2,1-2H3,(H,27,28).

What are the key properties of 6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[6-(furan-2-yl)pyridine-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[5-(furan-2-yl)thiophene-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid?

6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[6-(furan-2-yl)pyridine-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[5-(furan-2-yl)thiophene-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid has a molecular weight of 1813.21 g/mol, XLogP of 22.39, 48 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[6-(furan-2-yl)pyridine-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[5-(furan-2-yl)thiophene-2-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid is sourced from PubChem (CID 159798025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).