ethyl 7-[(5-methyl-3-pyridinyl)-pyridin-2-ylamino]heptanoate

C20H27N3O2 — CID 90348233

IUPACethyl 7-[(5-methyl-3-pyridinyl)-pyridin-2-ylamino]heptanoate
SMILESCCOC(=O)CCCCCCN(c1cncc(C)c1)c1ccccn1
InChIInChI=1S/C20H27N3O2/c1-3-25-20(24)11-6-4-5-9-13-23(19-10-7-8-12-22-19)18-14-17(2)15-21-16-18/h7-8,10,12,14-16H,3-6,9,11,13H2,1-2H3
InChIKeyINMOVXIENNDAOT-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.44
Rot. Bonds10

About ethyl 7-[(5-methyl-3-pyridinyl)-pyridin-2-ylamino]heptanoate

ethyl 7-[(5-methyl-3-pyridinyl)-pyridin-2-ylamino]heptanoate (PubChem CID 90348233) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is ethyl 7-[(5-methyl-3-pyridinyl)-pyridin-2-ylamino]heptanoate.

Molecular Properties

Compound Nameethyl 7-[(5-methyl-3-pyridinyl)-pyridin-2-ylamino]heptanoate
PubChem CID90348233
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Nameethyl 7-[(5-methyl-3-pyridinyl)-pyridin-2-ylamino]heptanoate
SMILESCCOC(=O)CCCCCCN(c1cncc(C)c1)c1ccccn1
InChIInChI=1S/C20H27N3O2/c1-3-25-20(24)11-6-4-5-9-13-23(19-10-7-8-12-22-19)18-14-17(2)15-21-16-18/h7-8,10,12,14-16H,3-6,9,11,13H2,1-2H3
InChIKeyINMOVXIENNDAOT-UHFFFAOYSA-N
XLogP4.44
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 7-[(6-phenylmethoxy-3-pyridinyl)-pyridin-2-ylamino]heptanoate
CID 90348242
ethyl 7-[(4-oxo-1H-pyridin-2-yl)-pyridin-2-ylamino]heptanoate
CID 58545024
ethyl 7-[[5-(4-fluorophenyl)-2-pyridinyl]-pyridin-2-ylamino]heptanoate
CID 58545049
ethyl 7-[di(pyrazin-2-yl)amino]heptanoate
CID 121304888
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 12-pyridin-2-yldodecanoate
CID 3298183
5-[3-amino-4-(methylamino)-N-pyridin-2-ylanilino]pentanoic acid
CID 174703078
ethyl 3-[benzoyl(pyridin-2-yl)amino]propanoate
CID 141002175
ethyl 7-[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-3-ylamino]heptanoate
CID 90134033
ethyl 3-oxo-3-(N-pyridin-2-ylanilino)propanoate
CID 135020038
ethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]heptanoate
CID 90133993
ethyl 3-[(3-aminobenzoyl)-pyridin-2-ylamino]propanoate
CID 125300571

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[(5-methyl-3-pyridinyl)-pyridin-2-ylamino]heptanoate?
The IUPAC name of ethyl 7-[(5-methyl-3-pyridinyl)-pyridin-2-ylamino]heptanoate (CID 90348233) is ethyl 7-[(5-methyl-3-pyridinyl)-pyridin-2-ylamino]heptanoate.
What is the SMILES notation for ethyl 7-[(5-methyl-3-pyridinyl)-pyridin-2-ylamino]heptanoate?
The canonical SMILES for ethyl 7-[(5-methyl-3-pyridinyl)-pyridin-2-ylamino]heptanoate is CCOC(=O)CCCCCCN(c1cncc(C)c1)c1ccccn1.
What is the InChIKey of ethyl 7-[(5-methyl-3-pyridinyl)-pyridin-2-ylamino]heptanoate?
The InChIKey is INMOVXIENNDAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-25-20(24)11-6-4-5-9-13-23(19-10-7-8-12-22-19)18-14-17(2)15-21-16-18/h7-8,10,12,14-16H,3-6,9,11,13H2,1-2H3.
What are the key properties of ethyl 7-[(5-methyl-3-pyridinyl)-pyridin-2-ylamino]heptanoate?
ethyl 7-[(5-methyl-3-pyridinyl)-pyridin-2-ylamino]heptanoate has a molecular weight of 341.46 g/mol, XLogP of 4.44, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[(5-methyl-3-pyridinyl)-pyridin-2-ylamino]heptanoate is sourced from PubChem (CID 90348233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).