2-[(5,6-dichloro-2-pyridinyl)oxy]-N-[[(3S,4R)-4-[[[2-[(5,6-dichloro-2-pyridinyl)oxy]acetyl]amino]methyl]oxolan-3-yl]methyl]acetamide

C20H20Cl4N4O5 — CID 146366251

IUPAC2-[(5,6-dichloro-2-pyridinyl)oxy]-N-[[(3S,4R)-4-[[[2-[(5,6-dichloro-2-pyridinyl)oxy]acetyl]amino]methyl]oxolan-3-yl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)c(Cl)n1)NC[C@@H]1COC[C@@H]1CNC(=O)COc1ccc(Cl)c(Cl)n1
InChIInChI=1S/C20H20Cl4N4O5/c21-13-1-3-17(27-19(13)23)32-9-15(29)25-5-11-7-31-8-12(11)6-26-16(30)10-33-18-4-2-14(22)20(24)28-18/h1-4,11-12H,5-10H2,(H,25,29)(H,26,30)/t11-,12+
InChIKeyRWZWFKOYYOXCQX-TXEJJXNPSA-N
MW538.22 g/mol
LogP3.04
Rot. Bonds10

About 2-[(5,6-dichloro-2-pyridinyl)oxy]-N-[[(3S,4R)-4-[[[2-[(5,6-dichloro-2-pyridinyl)oxy]acetyl]amino]methyl]oxolan-3-yl]methyl]acetamide

2-[(5,6-dichloro-2-pyridinyl)oxy]-N-[[(3S,4R)-4-[[[2-[(5,6-dichloro-2-pyridinyl)oxy]acetyl]amino]methyl]oxolan-3-yl]methyl]acetamide (PubChem CID 146366251) has the molecular formula C20H20Cl4N4O5 and a molecular weight of 538.22 g/mol. Its IUPAC name is 2-[(5,6-dichloro-2-pyridinyl)oxy]-N-[[(3S,4R)-4-[[[2-[(5,6-dichloro-2-pyridinyl)oxy]acetyl]amino]methyl]oxolan-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(5,6-dichloro-2-pyridinyl)oxy]-N-[[(3S,4R)-4-[[[2-[(5,6-dichloro-2-pyridinyl)oxy]acetyl]amino]methyl]oxolan-3-yl]methyl]acetamide
PubChem CID146366251
Molecular FormulaC20H20Cl4N4O5
Molecular Weight538.22 g/mol
Exact Mass536.02
IUPAC Name2-[(5,6-dichloro-2-pyridinyl)oxy]-N-[[(3S,4R)-4-[[[2-[(5,6-dichloro-2-pyridinyl)oxy]acetyl]amino]methyl]oxolan-3-yl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)c(Cl)n1)NC[C@@H]1COC[C@@H]1CNC(=O)COc1ccc(Cl)c(Cl)n1
InChIInChI=1S/C20H20Cl4N4O5/c21-13-1-3-17(27-19(13)23)32-9-15(29)25-5-11-7-31-8-12(11)6-26-16(30)10-33-18-4-2-14(22)20(24)28-18/h1-4,11-12H,5-10H2,(H,25,29)(H,26,30)/t11-,12+
InChIKeyRWZWFKOYYOXCQX-TXEJJXNPSA-N
XLogP3.04
TPSA111.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.22
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[(5,6-dichloro-2-pyridinyl)oxy]-N-[[(3S,4R)-4-[[[2-[(5,6-dichloro-2-pyridinyl)oxy]acetyl]amino]methyl]oxolan-3-yl]methyl]acetamide with MolForge

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Related Compounds

2-(3,4-dichlorophenoxy)-N-[[(3S,4R)-4-[[[2-(3,4-dichlorophenoxy)acetyl]amino]methyl]oxolan-3-yl]methyl]acetamide
CID 146366190
2-(3,4-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2419982
2-(4-chloronaphthalen-1-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120945408
2-(5-chloroquinolin-8-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120943944
N-[[(2R)-oxiran-2-yl]methyl]-2-phenoxyacetamide
CID 97180854
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 3,4-dichlorobenzoate
CID 7864832
N-(cyclopropylmethyl)-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide
CID 30432553
2-(3-chloro-4-fluorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120943889
2-(4-chlorophenoxy)-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]acetamide
CID 95973535
2-(4-amino-2,6-dichlorophenoxy)-N-(cyclopropylmethyl)acetamide
CID 43351652
4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 66222245
2-(2,4-dichlorophenoxy)-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide
CID 121021222

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dichloro-2-pyridinyl)oxy]-N-[[(3S,4R)-4-[[[2-[(5,6-dichloro-2-pyridinyl)oxy]acetyl]amino]methyl]oxolan-3-yl]methyl]acetamide?
The IUPAC name of 2-[(5,6-dichloro-2-pyridinyl)oxy]-N-[[(3S,4R)-4-[[[2-[(5,6-dichloro-2-pyridinyl)oxy]acetyl]amino]methyl]oxolan-3-yl]methyl]acetamide (CID 146366251) is 2-[(5,6-dichloro-2-pyridinyl)oxy]-N-[[(3S,4R)-4-[[[2-[(5,6-dichloro-2-pyridinyl)oxy]acetyl]amino]methyl]oxolan-3-yl]methyl]acetamide.
What is the SMILES notation for 2-[(5,6-dichloro-2-pyridinyl)oxy]-N-[[(3S,4R)-4-[[[2-[(5,6-dichloro-2-pyridinyl)oxy]acetyl]amino]methyl]oxolan-3-yl]methyl]acetamide?
The canonical SMILES for 2-[(5,6-dichloro-2-pyridinyl)oxy]-N-[[(3S,4R)-4-[[[2-[(5,6-dichloro-2-pyridinyl)oxy]acetyl]amino]methyl]oxolan-3-yl]methyl]acetamide is O=C(COc1ccc(Cl)c(Cl)n1)NC[C@@H]1COC[C@@H]1CNC(=O)COc1ccc(Cl)c(Cl)n1.
What is the InChIKey of 2-[(5,6-dichloro-2-pyridinyl)oxy]-N-[[(3S,4R)-4-[[[2-[(5,6-dichloro-2-pyridinyl)oxy]acetyl]amino]methyl]oxolan-3-yl]methyl]acetamide?
The InChIKey is RWZWFKOYYOXCQX-TXEJJXNPSA-N. The full InChI is InChI=1S/C20H20Cl4N4O5/c21-13-1-3-17(27-19(13)23)32-9-15(29)25-5-11-7-31-8-12(11)6-26-16(30)10-33-18-4-2-14(22)20(24)28-18/h1-4,11-12H,5-10H2,(H,25,29)(H,26,30)/t11-,12+.
What are the key properties of 2-[(5,6-dichloro-2-pyridinyl)oxy]-N-[[(3S,4R)-4-[[[2-[(5,6-dichloro-2-pyridinyl)oxy]acetyl]amino]methyl]oxolan-3-yl]methyl]acetamide?
2-[(5,6-dichloro-2-pyridinyl)oxy]-N-[[(3S,4R)-4-[[[2-[(5,6-dichloro-2-pyridinyl)oxy]acetyl]amino]methyl]oxolan-3-yl]methyl]acetamide has a molecular weight of 538.22 g/mol, XLogP of 3.04, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dichloro-2-pyridinyl)oxy]-N-[[(3S,4R)-4-[[[2-[(5,6-dichloro-2-pyridinyl)oxy]acetyl]amino]methyl]oxolan-3-yl]methyl]acetamide is sourced from PubChem (CID 146366251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).