2-[3-(2,4-dimethyl-3-pyridinyl)butyl]-3-propan-2-ylpyrazine

C18H25N3 — CID 166970309

IUPAC2-[3-(2,4-dimethyl-3-pyridinyl)butyl]-3-propan-2-ylpyrazine
SMILESCc1ccnc(C)c1C(C)CCc1nccnc1C(C)C
InChIInChI=1S/C18H25N3/c1-12(2)18-16(20-10-11-21-18)7-6-13(3)17-14(4)8-9-19-15(17)5/h8-13H,6-7H2,1-5H3
InChIKeyTWHPISUQIZHVAI-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.35
Rot. Bonds5

About 2-[3-(2,4-dimethyl-3-pyridinyl)butyl]-3-propan-2-ylpyrazine

2-[3-(2,4-dimethyl-3-pyridinyl)butyl]-3-propan-2-ylpyrazine (PubChem CID 166970309) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[3-(2,4-dimethyl-3-pyridinyl)butyl]-3-propan-2-ylpyrazine.

Molecular Properties

Compound Name2-[3-(2,4-dimethyl-3-pyridinyl)butyl]-3-propan-2-ylpyrazine
PubChem CID166970309
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-[3-(2,4-dimethyl-3-pyridinyl)butyl]-3-propan-2-ylpyrazine
SMILESCc1ccnc(C)c1C(C)CCc1nccnc1C(C)C
InChIInChI=1S/C18H25N3/c1-12(2)18-16(20-10-11-21-18)7-6-13(3)17-14(4)8-9-19-15(17)5/h8-13H,6-7H2,1-5H3
InChIKeyTWHPISUQIZHVAI-UHFFFAOYSA-N
XLogP4.35
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-(2,4-dimethyl-3-pyridinyl)butyl]-3-propan-2-ylpyrazine 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 2-[3-(2,4-dimethyl-3-pyridinyl)butyl]-3-propan-2-ylpyrazine?
The IUPAC name of 2-[3-(2,4-dimethyl-3-pyridinyl)butyl]-3-propan-2-ylpyrazine (CID 166970309) is 2-[3-(2,4-dimethyl-3-pyridinyl)butyl]-3-propan-2-ylpyrazine.
What is the SMILES notation for 2-[3-(2,4-dimethyl-3-pyridinyl)butyl]-3-propan-2-ylpyrazine?
The canonical SMILES for 2-[3-(2,4-dimethyl-3-pyridinyl)butyl]-3-propan-2-ylpyrazine is Cc1ccnc(C)c1C(C)CCc1nccnc1C(C)C.
What is the InChIKey of 2-[3-(2,4-dimethyl-3-pyridinyl)butyl]-3-propan-2-ylpyrazine?
The InChIKey is TWHPISUQIZHVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-12(2)18-16(20-10-11-21-18)7-6-13(3)17-14(4)8-9-19-15(17)5/h8-13H,6-7H2,1-5H3.
What are the key properties of 2-[3-(2,4-dimethyl-3-pyridinyl)butyl]-3-propan-2-ylpyrazine?
2-[3-(2,4-dimethyl-3-pyridinyl)butyl]-3-propan-2-ylpyrazine has a molecular weight of 283.42 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-dimethyl-3-pyridinyl)butyl]-3-propan-2-ylpyrazine is sourced from PubChem (CID 166970309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).