ethyl 7-[(6-phenylmethoxy-3-pyridinyl)-pyridin-2-ylamino]heptanoate

C26H31N3O3 — CID 90348242

IUPACethyl 7-[(6-phenylmethoxy-3-pyridinyl)-pyridin-2-ylamino]heptanoate
SMILESCCOC(=O)CCCCCCN(c1ccc(OCc2ccccc2)nc1)c1ccccn1
InChIInChI=1S/C26H31N3O3/c1-2-31-26(30)15-8-3-4-11-19-29(24-14-9-10-18-27-24)23-16-17-25(28-20-23)32-21-22-12-6-5-7-13-22/h5-7,9-10,12-14,16-18,20H,2-4,8,11,15,19,21H2,1H3
InChIKeyOSXJDRGENYGQOG-UHFFFAOYSA-N
MW433.55 g/mol
LogP5.71
Rot. Bonds13

About ethyl 7-[(6-phenylmethoxy-3-pyridinyl)-pyridin-2-ylamino]heptanoate

ethyl 7-[(6-phenylmethoxy-3-pyridinyl)-pyridin-2-ylamino]heptanoate (PubChem CID 90348242) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is ethyl 7-[(6-phenylmethoxy-3-pyridinyl)-pyridin-2-ylamino]heptanoate.

Molecular Properties

Compound Nameethyl 7-[(6-phenylmethoxy-3-pyridinyl)-pyridin-2-ylamino]heptanoate
PubChem CID90348242
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Nameethyl 7-[(6-phenylmethoxy-3-pyridinyl)-pyridin-2-ylamino]heptanoate
SMILESCCOC(=O)CCCCCCN(c1ccc(OCc2ccccc2)nc1)c1ccccn1
InChIInChI=1S/C26H31N3O3/c1-2-31-26(30)15-8-3-4-11-19-29(24-14-9-10-18-27-24)23-16-17-25(28-20-23)32-21-22-12-6-5-7-13-22/h5-7,9-10,12-14,16-18,20H,2-4,8,11,15,19,21H2,1H3
InChIKeyOSXJDRGENYGQOG-UHFFFAOYSA-N
XLogP5.71
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 7-[(5-methyl-3-pyridinyl)-pyridin-2-ylamino]heptanoate
CID 90348233
ethyl 7-[[5-(4-fluorophenyl)-2-pyridinyl]-pyridin-2-ylamino]heptanoate
CID 58545049
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 11-(4-phenylmethoxyphenoxy)undecanoate
CID 21259961
5-[3-amino-4-(methylamino)-N-pyridin-2-ylanilino]pentanoic acid
CID 174703078
ethyl 7-[benzyl(chloro)amino]heptanoate
CID 89017228
ethyl 3-[benzoyl(pyridin-2-yl)amino]propanoate
CID 141002175
ethyl 12-pyridin-2-yldodecanoate
CID 3298183
ethyl 7-[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-3-ylamino]heptanoate
CID 90134033
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
ethyl 3-oxo-3-(N-pyridin-2-ylanilino)propanoate
CID 135020038

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[(6-phenylmethoxy-3-pyridinyl)-pyridin-2-ylamino]heptanoate?
The IUPAC name of ethyl 7-[(6-phenylmethoxy-3-pyridinyl)-pyridin-2-ylamino]heptanoate (CID 90348242) is ethyl 7-[(6-phenylmethoxy-3-pyridinyl)-pyridin-2-ylamino]heptanoate.
What is the SMILES notation for ethyl 7-[(6-phenylmethoxy-3-pyridinyl)-pyridin-2-ylamino]heptanoate?
The canonical SMILES for ethyl 7-[(6-phenylmethoxy-3-pyridinyl)-pyridin-2-ylamino]heptanoate is CCOC(=O)CCCCCCN(c1ccc(OCc2ccccc2)nc1)c1ccccn1.
What is the InChIKey of ethyl 7-[(6-phenylmethoxy-3-pyridinyl)-pyridin-2-ylamino]heptanoate?
The InChIKey is OSXJDRGENYGQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-2-31-26(30)15-8-3-4-11-19-29(24-14-9-10-18-27-24)23-16-17-25(28-20-23)32-21-22-12-6-5-7-13-22/h5-7,9-10,12-14,16-18,20H,2-4,8,11,15,19,21H2,1H3.
What are the key properties of ethyl 7-[(6-phenylmethoxy-3-pyridinyl)-pyridin-2-ylamino]heptanoate?
ethyl 7-[(6-phenylmethoxy-3-pyridinyl)-pyridin-2-ylamino]heptanoate has a molecular weight of 433.55 g/mol, XLogP of 5.71, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[(6-phenylmethoxy-3-pyridinyl)-pyridin-2-ylamino]heptanoate is sourced from PubChem (CID 90348242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).