6-[[3-[dideuterio-[[4-(furan-2-yl)benzoyl]-methylamino]methyl]-2-pyridinyl]oxy]hexanoic acid

C24H26N2O5 — CID 121270272

IUPAC6-[[3-[dideuterio-[[4-(furan-2-yl)benzoyl]-methylamino]methyl]-2-pyridinyl]oxy]hexanoic acid
SMILES[2H]C([2H])(c1cccnc1OCCCCCC(=O)O)N(C)C(=O)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C24H26N2O5/c1-26(24(29)19-12-10-18(11-13-19)21-8-6-16-30-21)17-20-7-5-14-25-23(20)31-15-4-2-3-9-22(27)28/h5-8,10-14,16H,2-4,9,15,17H2,1H3,(H,27,28)/i17D2
InChIKeyVNOFXEOIOHLTLX-FBCWWBABSA-N
MW424.49 g/mol
LogP4.64
Rot. Bonds11

About 6-[[3-[dideuterio-[[4-(furan-2-yl)benzoyl]-methylamino]methyl]-2-pyridinyl]oxy]hexanoic acid

6-[[3-[dideuterio-[[4-(furan-2-yl)benzoyl]-methylamino]methyl]-2-pyridinyl]oxy]hexanoic acid (PubChem CID 121270272) has the molecular formula C24H26N2O5 and a molecular weight of 424.49 g/mol. Its IUPAC name is 6-[[3-[dideuterio-[[4-(furan-2-yl)benzoyl]-methylamino]methyl]-2-pyridinyl]oxy]hexanoic acid.

Molecular Properties

Compound Name6-[[3-[dideuterio-[[4-(furan-2-yl)benzoyl]-methylamino]methyl]-2-pyridinyl]oxy]hexanoic acid
PubChem CID121270272
Molecular FormulaC24H26N2O5
Molecular Weight424.49 g/mol
Exact Mass424.20
IUPAC Name6-[[3-[dideuterio-[[4-(furan-2-yl)benzoyl]-methylamino]methyl]-2-pyridinyl]oxy]hexanoic acid
SMILES[2H]C([2H])(c1cccnc1OCCCCCC(=O)O)N(C)C(=O)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C24H26N2O5/c1-26(24(29)19-12-10-18(11-13-19)21-8-6-16-30-21)17-20-7-5-14-25-23(20)31-15-4-2-3-9-22(27)28/h5-8,10-14,16H,2-4,9,15,17H2,1H3,(H,27,28)/i17D2
InChIKeyVNOFXEOIOHLTLX-FBCWWBABSA-N
XLogP4.64
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]-4-methylphenoxy]hexanoic acid
CID 121270723
6-[2-[[[4-(furan-2-yl)benzoyl]-(trideuteriomethyl)amino]methyl]-4-methoxyphenoxy]hexanoic acid
CID 121270366
6-[2-[[cyclopropylmethyl-[4-(furan-2-yl)benzoyl]amino]-deuteriomethyl]phenoxy]hexanoic acid
CID 121270679
6-[[4-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]-1,2-thiazol-3-yl]oxy]hexanoic acid
CID 121270262
6-[4-bromo-2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid
CID 121270399
6-[2-[[cyclopentyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid
CID 86281299
6-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]cyclopentyl]oxyhexanoic acid
CID 121270291
6-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]-4-fluorophenoxy]hexanoic acid
CID 121270663
6-[2-[[cyclopropyl-[4-(furan-2-yl)benzoyl]amino]-hydroxymethyl]phenoxy]hexanoic acid
CID 145060902
6-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]-4-methoxyphenoxy]hexanoic acid
CID 121270582
6-[2-[cyclopropyl-[dideuterio-[4-(furan-2-yl)phenyl]methyl]carbamoyl]phenoxy]hexanoic acid
CID 121270379
6-[2-[dideuterio-[[2-fluoro-4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid
CID 121270541

Frequently Asked Questions

What is the IUPAC name of 6-[[3-[dideuterio-[[4-(furan-2-yl)benzoyl]-methylamino]methyl]-2-pyridinyl]oxy]hexanoic acid?
The IUPAC name of 6-[[3-[dideuterio-[[4-(furan-2-yl)benzoyl]-methylamino]methyl]-2-pyridinyl]oxy]hexanoic acid (CID 121270272) is 6-[[3-[dideuterio-[[4-(furan-2-yl)benzoyl]-methylamino]methyl]-2-pyridinyl]oxy]hexanoic acid.
What is the SMILES notation for 6-[[3-[dideuterio-[[4-(furan-2-yl)benzoyl]-methylamino]methyl]-2-pyridinyl]oxy]hexanoic acid?
The canonical SMILES for 6-[[3-[dideuterio-[[4-(furan-2-yl)benzoyl]-methylamino]methyl]-2-pyridinyl]oxy]hexanoic acid is [2H]C([2H])(c1cccnc1OCCCCCC(=O)O)N(C)C(=O)c1ccc(-c2ccco2)cc1.
What is the InChIKey of 6-[[3-[dideuterio-[[4-(furan-2-yl)benzoyl]-methylamino]methyl]-2-pyridinyl]oxy]hexanoic acid?
The InChIKey is VNOFXEOIOHLTLX-FBCWWBABSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-26(24(29)19-12-10-18(11-13-19)21-8-6-16-30-21)17-20-7-5-14-25-23(20)31-15-4-2-3-9-22(27)28/h5-8,10-14,16H,2-4,9,15,17H2,1H3,(H,27,28)/i17D2.
What are the key properties of 6-[[3-[dideuterio-[[4-(furan-2-yl)benzoyl]-methylamino]methyl]-2-pyridinyl]oxy]hexanoic acid?
6-[[3-[dideuterio-[[4-(furan-2-yl)benzoyl]-methylamino]methyl]-2-pyridinyl]oxy]hexanoic acid has a molecular weight of 424.49 g/mol, XLogP of 4.64, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[dideuterio-[[4-(furan-2-yl)benzoyl]-methylamino]methyl]-2-pyridinyl]oxy]hexanoic acid is sourced from PubChem (CID 121270272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).