2-[2-[(3-cyano-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide

C22H20N4O3 — CID 60537702

IUPAC2-[2-[(3-cyano-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide
SMILESN#Cc1cccnc1Oc1ccccc1NCC(=O)NCCOc1ccccc1
InChIInChI=1S/C22H20N4O3/c23-15-17-7-6-12-25-22(17)29-20-11-5-4-10-19(20)26-16-21(27)24-13-14-28-18-8-2-1-3-9-18/h1-12,26H,13-14,16H2,(H,24,27)
InChIKeyATXFRCFSMMGZRP-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.35
Rot. Bonds9

About 2-[2-[(3-cyano-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide

2-[2-[(3-cyano-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide (PubChem CID 60537702) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-[2-[(3-cyano-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-[2-[(3-cyano-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide
PubChem CID60537702
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name2-[2-[(3-cyano-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide
SMILESN#Cc1cccnc1Oc1ccccc1NCC(=O)NCCOc1ccccc1
InChIInChI=1S/C22H20N4O3/c23-15-17-7-6-12-25-22(17)29-20-11-5-4-10-19(20)26-16-21(27)24-13-14-28-18-8-2-1-3-9-18/h1-12,26H,13-14,16H2,(H,24,27)
InChIKeyATXFRCFSMMGZRP-UHFFFAOYSA-N
XLogP3.35
TPSA96.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide
CID 60536795
2-(ethylamino)-N-(2-phenoxyethyl)acetamide
CID 60672813
2-[2-[(2-tert-butyl-1,2,4-triazol-3-yl)methylamino]phenoxy]pyridine-3-carbonitrile
CID 119051711
methyl 3-[(3-cyano-2-pyridinyl)oxy]benzoate
CID 18194841
2-(3-acetylphenoxy)pyridine-3-carbonitrile
CID 18194838
2-amino-3-(2-phenoxyethylamino)benzonitrile
CID 104716563
N-(2-ethoxyphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827090
N-(2-methoxyethyl)-3-(2-phenoxyanilino)propanamide
CID 109015125
2-(2-ethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54817274
2-(2-phenoxyanilino)-N-prop-2-enylacetamide
CID 108992999
4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]-N-propylbenzamide
CID 54827216
2-[3-(2-phenoxyethoxy)anilino]-N-propylacetamide
CID 54825848

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-cyano-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-[2-[(3-cyano-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide (CID 60537702) is 2-[2-[(3-cyano-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-[2-[(3-cyano-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-[2-[(3-cyano-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide is N#Cc1cccnc1Oc1ccccc1NCC(=O)NCCOc1ccccc1.
What is the InChIKey of 2-[2-[(3-cyano-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide?
The InChIKey is ATXFRCFSMMGZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c23-15-17-7-6-12-25-22(17)29-20-11-5-4-10-19(20)26-16-21(27)24-13-14-28-18-8-2-1-3-9-18/h1-12,26H,13-14,16H2,(H,24,27).
What are the key properties of 2-[2-[(3-cyano-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide?
2-[2-[(3-cyano-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide has a molecular weight of 388.43 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-cyano-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 60537702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).