ethyl 2-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methylamino]-2-oxoacetate

C17H17FN2O4 — CID 54584799

IUPACethyl 2-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCc1cncc(-c2ccc(F)cc2OC)c1
InChIInChI=1S/C17H17FN2O4/c1-3-24-17(22)16(21)20-9-11-6-12(10-19-8-11)14-5-4-13(18)7-15(14)23-2/h4-8,10H,3,9H2,1-2H3,(H,20,21)
InChIKeyUDQQZZDGPQKHNE-UHFFFAOYSA-N
MW332.33 g/mol
LogP2.08
Rot. Bonds5

About ethyl 2-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methylamino]-2-oxoacetate

ethyl 2-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methylamino]-2-oxoacetate (PubChem CID 54584799) has the molecular formula C17H17FN2O4 and a molecular weight of 332.33 g/mol. Its IUPAC name is ethyl 2-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methylamino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methylamino]-2-oxoacetate
PubChem CID54584799
Molecular FormulaC17H17FN2O4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC Nameethyl 2-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCc1cncc(-c2ccc(F)cc2OC)c1
InChIInChI=1S/C17H17FN2O4/c1-3-24-17(22)16(21)20-9-11-6-12(10-19-8-11)14-5-4-13(18)7-15(14)23-2/h4-8,10H,3,9H2,1-2H3,(H,20,21)
InChIKeyUDQQZZDGPQKHNE-UHFFFAOYSA-N
XLogP2.08
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylphenoxy)-N-(3-pyridinylmethyl)propanamide
CID 2977532
2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 2524533
N-((5-(4-fluoro-2-methoxyphenyl)pyridin-3-yl)methyl)cyclopentanamine
CID 53248849
4-Pentyl-5-[5-[4-(trifluoromethoxy)phenyl]pyridin-3-yl]morpholin-3-one
CID 71770953
2-(2,3-dimethylphenoxy)-N-(4-pyridylmethyl)acetamide
CID 756599
3-(4-Fluoro-2-methoxyphenyl)-5-(pyrrolidin-2-yl)pyridine
CID 54580845
N-((5-(4-fluoro-2-methoxyphenyl)pyridin-3-yl)methyl)propan-2-amine
CID 54583833
N-((5-(4-fluoro-2-methoxyphenyl)pyridin-3-yl)methyl)pyrrolidine-1-carboxamide
CID 54583835
N-((5-(4-fluoro-2-methoxyphenyl)pyridin-3-yl)methyl)benzamide
CID 54584798
N-((5-(4-fluoro-2-methoxyphenyl)pyridin-3-yl)methyl)cyclobutanecarboxamide
CID 54585737
N-((5-(4-fluoro-2-methoxyphenyl)pyridin-3-yl)methyl)butyramide
CID 54585738
N-((5-(4-fluoro-2-methoxyphenyl)pyridin-3-yl)methyl)cyclohexanamine
CID 54586720

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methylamino]-2-oxoacetate?
The IUPAC name of ethyl 2-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methylamino]-2-oxoacetate (CID 54584799) is ethyl 2-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methylamino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methylamino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methylamino]-2-oxoacetate is CCOC(=O)C(=O)NCc1cncc(-c2ccc(F)cc2OC)c1.
What is the InChIKey of ethyl 2-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methylamino]-2-oxoacetate?
The InChIKey is UDQQZZDGPQKHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4/c1-3-24-17(22)16(21)20-9-11-6-12(10-19-8-11)14-5-4-13(18)7-15(14)23-2/h4-8,10H,3,9H2,1-2H3,(H,20,21).
What are the key properties of ethyl 2-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methylamino]-2-oxoacetate?
ethyl 2-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methylamino]-2-oxoacetate has a molecular weight of 332.33 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methylamino]-2-oxoacetate is sourced from PubChem (CID 54584799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).