3-(2-aminoethynyl)-4-ethenyl-5-ethylpyridin-2-amine

C11H13N3 — CID 142221958

IUPAC3-(2-aminoethynyl)-4-ethenyl-5-ethylpyridin-2-amine
SMILESC=Cc1c(CC)cnc(N)c1C#CN
InChIInChI=1S/C11H13N3/c1-3-8-7-14-11(13)10(5-6-12)9(8)4-2/h4,7H,2-3,12H2,1H3,(H2,13,14)
InChIKeyIJLPWVXWEIKZKR-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.14
Rot. Bonds2

About 3-(2-aminoethynyl)-4-ethenyl-5-ethylpyridin-2-amine

3-(2-aminoethynyl)-4-ethenyl-5-ethylpyridin-2-amine (PubChem CID 142221958) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 3-(2-aminoethynyl)-4-ethenyl-5-ethylpyridin-2-amine.

Molecular Properties

Compound Name3-(2-aminoethynyl)-4-ethenyl-5-ethylpyridin-2-amine
PubChem CID142221958
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name3-(2-aminoethynyl)-4-ethenyl-5-ethylpyridin-2-amine
SMILESC=Cc1c(CC)cnc(N)c1C#CN
InChIInChI=1S/C11H13N3/c1-3-8-7-14-11(13)10(5-6-12)9(8)4-2/h4,7H,2-3,12H2,1H3,(H2,13,14)
InChIKeyIJLPWVXWEIKZKR-UHFFFAOYSA-N
XLogP1.14
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethynyl)-4-ethenyl-5-ethylpyridin-2-amine?
The IUPAC name of 3-(2-aminoethynyl)-4-ethenyl-5-ethylpyridin-2-amine (CID 142221958) is 3-(2-aminoethynyl)-4-ethenyl-5-ethylpyridin-2-amine.
What is the SMILES notation for 3-(2-aminoethynyl)-4-ethenyl-5-ethylpyridin-2-amine?
The canonical SMILES for 3-(2-aminoethynyl)-4-ethenyl-5-ethylpyridin-2-amine is C=Cc1c(CC)cnc(N)c1C#CN.
What is the InChIKey of 3-(2-aminoethynyl)-4-ethenyl-5-ethylpyridin-2-amine?
The InChIKey is IJLPWVXWEIKZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-3-8-7-14-11(13)10(5-6-12)9(8)4-2/h4,7H,2-3,12H2,1H3,(H2,13,14).
What are the key properties of 3-(2-aminoethynyl)-4-ethenyl-5-ethylpyridin-2-amine?
3-(2-aminoethynyl)-4-ethenyl-5-ethylpyridin-2-amine has a molecular weight of 187.25 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethynyl)-4-ethenyl-5-ethylpyridin-2-amine is sourced from PubChem (CID 142221958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).