ethyl 7-[di(pyrazin-2-yl)amino]heptanoate

C17H23N5O2 — CID 121304888

IUPACethyl 7-[di(pyrazin-2-yl)amino]heptanoate
SMILESCCOC(=O)CCCCCCN(c1cnccn1)c1cnccn1
InChIInChI=1S/C17H23N5O2/c1-2-24-17(23)7-5-3-4-6-12-22(15-13-18-8-10-20-15)16-14-19-9-11-21-16/h8-11,13-14H,2-7,12H2,1H3
InChIKeyISHYNCIZKZFDNJ-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.92
Rot. Bonds10

About ethyl 7-[di(pyrazin-2-yl)amino]heptanoate

ethyl 7-[di(pyrazin-2-yl)amino]heptanoate (PubChem CID 121304888) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is ethyl 7-[di(pyrazin-2-yl)amino]heptanoate.

Molecular Properties

Compound Nameethyl 7-[di(pyrazin-2-yl)amino]heptanoate
PubChem CID121304888
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Nameethyl 7-[di(pyrazin-2-yl)amino]heptanoate
SMILESCCOC(=O)CCCCCCN(c1cnccn1)c1cnccn1
InChIInChI=1S/C17H23N5O2/c1-2-24-17(23)7-5-3-4-6-12-22(15-13-18-8-10-20-15)16-14-19-9-11-21-16/h8-11,13-14H,2-7,12H2,1H3
InChIKeyISHYNCIZKZFDNJ-UHFFFAOYSA-N
XLogP2.92
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 7-[di(pyrazin-2-yl)amino]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-(4-fluorophenyl)-2-pyridinyl]-pyridin-2-ylamino]heptanoate
CID 58545049
ethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]heptanoate
CID 90133993
ethyl 7-[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-3-ylamino]heptanoate
CID 90134033
ethyl 7-[(4-oxo-1H-pyridin-2-yl)-pyridin-2-ylamino]heptanoate
CID 58545024
diethyl icosanedioate
CID 5058538
ethyl 7-[(6-phenylmethoxy-3-pyridinyl)-pyridin-2-ylamino]heptanoate
CID 90348242
ethyl 7-(dimethylamino)heptanoate
CID 170069476
ethyl 4-(1-pyrazin-2-ylethylamino)butanoate
CID 64580462
diethyl hexanedioate
CID 160747628
ethyl 4-[(3-methylpyrazin-2-yl)amino]butanoate
CID 83062864
CID 157224173
CID 157224173

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[di(pyrazin-2-yl)amino]heptanoate?
The IUPAC name of ethyl 7-[di(pyrazin-2-yl)amino]heptanoate (CID 121304888) is ethyl 7-[di(pyrazin-2-yl)amino]heptanoate.
What is the SMILES notation for ethyl 7-[di(pyrazin-2-yl)amino]heptanoate?
The canonical SMILES for ethyl 7-[di(pyrazin-2-yl)amino]heptanoate is CCOC(=O)CCCCCCN(c1cnccn1)c1cnccn1.
What is the InChIKey of ethyl 7-[di(pyrazin-2-yl)amino]heptanoate?
The InChIKey is ISHYNCIZKZFDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-2-24-17(23)7-5-3-4-6-12-22(15-13-18-8-10-20-15)16-14-19-9-11-21-16/h8-11,13-14H,2-7,12H2,1H3.
What are the key properties of ethyl 7-[di(pyrazin-2-yl)amino]heptanoate?
ethyl 7-[di(pyrazin-2-yl)amino]heptanoate has a molecular weight of 329.40 g/mol, XLogP of 2.92, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[di(pyrazin-2-yl)amino]heptanoate is sourced from PubChem (CID 121304888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).