5-[2-[2-ethyl-4-(2-ethyl-4-pyridinyl)-3-pyridinyl]ethynyl]-6-methylpyridin-2-amine

C22H22N4 — CID 58235207

IUPAC5-[2-[2-ethyl-4-(2-ethyl-4-pyridinyl)-3-pyridinyl]ethynyl]-6-methylpyridin-2-amine
SMILESCCc1cc(-c2ccnc(CC)c2C#Cc2ccc(N)nc2C)ccn1
InChIInChI=1S/C22H22N4/c1-4-18-14-17(10-12-24-18)19-11-13-25-21(5-2)20(19)8-6-16-7-9-22(23)26-15(16)3/h7,9-14H,4-5H2,1-3H3,(H2,23,26)
InChIKeyWQZXQLKTMMORSF-UHFFFAOYSA-N
MW342.45 g/mol
LogP3.95
Rot. Bonds3

About 5-[2-[2-ethyl-4-(2-ethyl-4-pyridinyl)-3-pyridinyl]ethynyl]-6-methylpyridin-2-amine

5-[2-[2-ethyl-4-(2-ethyl-4-pyridinyl)-3-pyridinyl]ethynyl]-6-methylpyridin-2-amine (PubChem CID 58235207) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is 5-[2-[2-ethyl-4-(2-ethyl-4-pyridinyl)-3-pyridinyl]ethynyl]-6-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[2-[2-ethyl-4-(2-ethyl-4-pyridinyl)-3-pyridinyl]ethynyl]-6-methylpyridin-2-amine
PubChem CID58235207
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Name5-[2-[2-ethyl-4-(2-ethyl-4-pyridinyl)-3-pyridinyl]ethynyl]-6-methylpyridin-2-amine
SMILESCCc1cc(-c2ccnc(CC)c2C#Cc2ccc(N)nc2C)ccn1
InChIInChI=1S/C22H22N4/c1-4-18-14-17(10-12-24-18)19-11-13-25-21(5-2)20(19)8-6-16-7-9-22(23)26-15(16)3/h7,9-14H,4-5H2,1-3H3,(H2,23,26)
InChIKeyWQZXQLKTMMORSF-UHFFFAOYSA-N
XLogP3.95
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[2-[2-ethyl-4-(2-ethyl-4-pyridinyl)-3-pyridinyl]ethynyl]-6-methylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-ethyl-4-(2-ethyl-4-pyridinyl)-3-pyridinyl]ethynyl]-6-methylpyridin-2-amine?
The IUPAC name of 5-[2-[2-ethyl-4-(2-ethyl-4-pyridinyl)-3-pyridinyl]ethynyl]-6-methylpyridin-2-amine (CID 58235207) is 5-[2-[2-ethyl-4-(2-ethyl-4-pyridinyl)-3-pyridinyl]ethynyl]-6-methylpyridin-2-amine.
What is the SMILES notation for 5-[2-[2-ethyl-4-(2-ethyl-4-pyridinyl)-3-pyridinyl]ethynyl]-6-methylpyridin-2-amine?
The canonical SMILES for 5-[2-[2-ethyl-4-(2-ethyl-4-pyridinyl)-3-pyridinyl]ethynyl]-6-methylpyridin-2-amine is CCc1cc(-c2ccnc(CC)c2C#Cc2ccc(N)nc2C)ccn1.
What is the InChIKey of 5-[2-[2-ethyl-4-(2-ethyl-4-pyridinyl)-3-pyridinyl]ethynyl]-6-methylpyridin-2-amine?
The InChIKey is WQZXQLKTMMORSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4/c1-4-18-14-17(10-12-24-18)19-11-13-25-21(5-2)20(19)8-6-16-7-9-22(23)26-15(16)3/h7,9-14H,4-5H2,1-3H3,(H2,23,26).
What are the key properties of 5-[2-[2-ethyl-4-(2-ethyl-4-pyridinyl)-3-pyridinyl]ethynyl]-6-methylpyridin-2-amine?
5-[2-[2-ethyl-4-(2-ethyl-4-pyridinyl)-3-pyridinyl]ethynyl]-6-methylpyridin-2-amine has a molecular weight of 342.45 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-ethyl-4-(2-ethyl-4-pyridinyl)-3-pyridinyl]ethynyl]-6-methylpyridin-2-amine is sourced from PubChem (CID 58235207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).