ethyl 7-[[5-(4-fluorophenyl)-2-pyridinyl]-pyridin-2-ylamino]heptanoate

C25H28FN3O2 — CID 58545049

IUPACethyl 7-[[5-(4-fluorophenyl)-2-pyridinyl]-pyridin-2-ylamino]heptanoate
SMILESCCOC(=O)CCCCCCN(c1ccccn1)c1ccc(-c2ccc(F)cc2)cn1
InChIInChI=1S/C25H28FN3O2/c1-2-31-25(30)10-5-3-4-8-18-29(23-9-6-7-17-27-23)24-16-13-21(19-28-24)20-11-14-22(26)15-12-20/h6-7,9,11-17,19H,2-5,8,10,18H2,1H3
InChIKeyNSRKUDCIHOPLON-UHFFFAOYSA-N
MW421.52 g/mol
LogP5.93
Rot. Bonds11

About ethyl 7-[[5-(4-fluorophenyl)-2-pyridinyl]-pyridin-2-ylamino]heptanoate

ethyl 7-[[5-(4-fluorophenyl)-2-pyridinyl]-pyridin-2-ylamino]heptanoate (PubChem CID 58545049) has the molecular formula C25H28FN3O2 and a molecular weight of 421.52 g/mol. Its IUPAC name is ethyl 7-[[5-(4-fluorophenyl)-2-pyridinyl]-pyridin-2-ylamino]heptanoate.

Molecular Properties

Compound Nameethyl 7-[[5-(4-fluorophenyl)-2-pyridinyl]-pyridin-2-ylamino]heptanoate
PubChem CID58545049
Molecular FormulaC25H28FN3O2
Molecular Weight421.52 g/mol
Exact Mass421.22
IUPAC Nameethyl 7-[[5-(4-fluorophenyl)-2-pyridinyl]-pyridin-2-ylamino]heptanoate
SMILESCCOC(=O)CCCCCCN(c1ccccn1)c1ccc(-c2ccc(F)cc2)cn1
InChIInChI=1S/C25H28FN3O2/c1-2-31-25(30)10-5-3-4-8-18-29(23-9-6-7-17-27-23)24-16-13-21(19-28-24)20-11-14-22(26)15-12-20/h6-7,9,11-17,19H,2-5,8,10,18H2,1H3
InChIKeyNSRKUDCIHOPLON-UHFFFAOYSA-N
XLogP5.93
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.52
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 7-[[5-(4-fluorophenyl)-2-pyridinyl]-pyridin-2-ylamino]heptanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 7-[(5-methyl-3-pyridinyl)-pyridin-2-ylamino]heptanoate
CID 90348233
ethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]heptanoate
CID 90133993
ethyl 7-[(4-oxo-1H-pyridin-2-yl)-pyridin-2-ylamino]heptanoate
CID 58545024
ethyl 7-[di(pyrazin-2-yl)amino]heptanoate
CID 121304888
ethyl 7-[(6-phenylmethoxy-3-pyridinyl)-pyridin-2-ylamino]heptanoate
CID 90348242
ethyl 12-pyridin-2-yldodecanoate
CID 3298183
ethyl 7-[ethyl-(4-fluorobenzoyl)amino]heptanoate
CID 163254624
ethyl 3-[benzoyl(pyridin-2-yl)amino]propanoate
CID 141002175
2-bromo-4-phenylpyridine;ethyl 7-[(5-phenyl-3-pyridinyl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(5-phenyl-3-pyridinyl)-pyridin-2-ylamino]heptanamide;molecular iodine;4-phenyl-N-pyridin-2-ylpyridin-2-amine;triiodide;hydroiodide
CID 158384385
2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine;7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]-N-hydroxyheptanamide;1-methylbenzimidazol-2-amine;sulfane
CID 158198252
ethyl 4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenoxy]butanoate
CID 103597145
ethyl 3-[(2-aminobenzoyl)-pyridin-2-ylamino]propanoate
CID 141002217

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[[5-(4-fluorophenyl)-2-pyridinyl]-pyridin-2-ylamino]heptanoate?
The IUPAC name of ethyl 7-[[5-(4-fluorophenyl)-2-pyridinyl]-pyridin-2-ylamino]heptanoate (CID 58545049) is ethyl 7-[[5-(4-fluorophenyl)-2-pyridinyl]-pyridin-2-ylamino]heptanoate.
What is the SMILES notation for ethyl 7-[[5-(4-fluorophenyl)-2-pyridinyl]-pyridin-2-ylamino]heptanoate?
The canonical SMILES for ethyl 7-[[5-(4-fluorophenyl)-2-pyridinyl]-pyridin-2-ylamino]heptanoate is CCOC(=O)CCCCCCN(c1ccccn1)c1ccc(-c2ccc(F)cc2)cn1.
What is the InChIKey of ethyl 7-[[5-(4-fluorophenyl)-2-pyridinyl]-pyridin-2-ylamino]heptanoate?
The InChIKey is NSRKUDCIHOPLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O2/c1-2-31-25(30)10-5-3-4-8-18-29(23-9-6-7-17-27-23)24-16-13-21(19-28-24)20-11-14-22(26)15-12-20/h6-7,9,11-17,19H,2-5,8,10,18H2,1H3.
What are the key properties of ethyl 7-[[5-(4-fluorophenyl)-2-pyridinyl]-pyridin-2-ylamino]heptanoate?
ethyl 7-[[5-(4-fluorophenyl)-2-pyridinyl]-pyridin-2-ylamino]heptanoate has a molecular weight of 421.52 g/mol, XLogP of 5.93, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[[5-(4-fluorophenyl)-2-pyridinyl]-pyridin-2-ylamino]heptanoate is sourced from PubChem (CID 58545049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).