ethyl 6-imidazo[4,5-c]pyridin-3-ylhexanoate

C14H19N3O2 — CID 14369752

IUPACethyl 6-imidazo[4,5-c]pyridin-3-ylhexanoate
SMILESCCOC(=O)CCCCCn1cnc2ccncc21
InChIInChI=1S/C14H19N3O2/c1-2-19-14(18)6-4-3-5-9-17-11-16-12-7-8-15-10-13(12)17/h7-8,10-11H,2-6,9H2,1H3
InChIKeyMXHPWWPZGNCJTA-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.55
Rot. Bonds7

About ethyl 6-imidazo[4,5-c]pyridin-3-ylhexanoate

ethyl 6-imidazo[4,5-c]pyridin-3-ylhexanoate (PubChem CID 14369752) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl 6-imidazo[4,5-c]pyridin-3-ylhexanoate.

Molecular Properties

Compound Nameethyl 6-imidazo[4,5-c]pyridin-3-ylhexanoate
PubChem CID14369752
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Nameethyl 6-imidazo[4,5-c]pyridin-3-ylhexanoate
SMILESCCOC(=O)CCCCCn1cnc2ccncc21
InChIInChI=1S/C14H19N3O2/c1-2-19-14(18)6-4-3-5-9-17-11-16-12-7-8-15-10-13(12)17/h7-8,10-11H,2-6,9H2,1H3
InChIKeyMXHPWWPZGNCJTA-UHFFFAOYSA-N
XLogP2.55
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.55
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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Frequently Asked Questions

What is the IUPAC name of ethyl 6-imidazo[4,5-c]pyridin-3-ylhexanoate?
The IUPAC name of ethyl 6-imidazo[4,5-c]pyridin-3-ylhexanoate (CID 14369752) is ethyl 6-imidazo[4,5-c]pyridin-3-ylhexanoate.
What is the SMILES notation for ethyl 6-imidazo[4,5-c]pyridin-3-ylhexanoate?
The canonical SMILES for ethyl 6-imidazo[4,5-c]pyridin-3-ylhexanoate is CCOC(=O)CCCCCn1cnc2ccncc21.
What is the InChIKey of ethyl 6-imidazo[4,5-c]pyridin-3-ylhexanoate?
The InChIKey is MXHPWWPZGNCJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-19-14(18)6-4-3-5-9-17-11-16-12-7-8-15-10-13(12)17/h7-8,10-11H,2-6,9H2,1H3.
What are the key properties of ethyl 6-imidazo[4,5-c]pyridin-3-ylhexanoate?
ethyl 6-imidazo[4,5-c]pyridin-3-ylhexanoate has a molecular weight of 261.32 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-imidazo[4,5-c]pyridin-3-ylhexanoate is sourced from PubChem (CID 14369752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).