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3-[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]pyridin-4-amine

C15H15N5O — CID 114721261

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]pyridin-4-amine
SMILESCCOc1ccc(-n2cncc2-c2cnccc2N)cn1
InChIInChI=1S/C15H15N5O/c1-2-21-15-4-3-11(7-19-15)20-10-18-9-14(20)12-8-17-6-5-13(12)16/h3-10H,2H2,1H3,(H2,16,17)
InChIKeySFFCGPJVKOALMC-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.31
Rot. Bonds4

About 3-[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]pyridin-4-amine

3-[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]pyridin-4-amine (PubChem CID 114721261) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]pyridin-4-amine.

Molecular Properties

Compound Name3-[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]pyridin-4-amine
PubChem CID114721261
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name3-[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]pyridin-4-amine
SMILESCCOc1ccc(-n2cncc2-c2cnccc2N)cn1
InChIInChI=1S/C15H15N5O/c1-2-21-15-4-3-11(7-19-15)20-10-18-9-14(20)12-8-17-6-5-13(12)16/h3-10H,2H2,1H3,(H2,16,17)
InChIKeySFFCGPJVKOALMC-UHFFFAOYSA-N
XLogP2.31
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]pyridin-4-amine?
The IUPAC name of 3-[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]pyridin-4-amine (CID 114721261) is 3-[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]pyridin-4-amine.
What is the SMILES notation for 3-[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]pyridin-4-amine?
The canonical SMILES for 3-[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]pyridin-4-amine is CCOc1ccc(-n2cncc2-c2cnccc2N)cn1.
What is the InChIKey of 3-[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]pyridin-4-amine?
The InChIKey is SFFCGPJVKOALMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-2-21-15-4-3-11(7-19-15)20-10-18-9-14(20)12-8-17-6-5-13(12)16/h3-10H,2H2,1H3,(H2,16,17).
What are the key properties of 3-[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]pyridin-4-amine?
3-[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]pyridin-4-amine has a molecular weight of 281.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]pyridin-4-amine is sourced from PubChem (CID 114721261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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