ethane;3-methyl-2-(4-methyl-2-pyridinyl)pyridine

C16H24N2 — CID 54336333

IUPACethane;3-methyl-2-(4-methyl-2-pyridinyl)pyridine
SMILESCC.CC.Cc1ccnc(-c2ncccc2C)c1
InChIInChI=1S/C12H12N2.2C2H6/c1-9-5-7-13-11(8-9)12-10(2)4-3-6-14-12;2*1-2/h3-8H,1-2H3;2*1-2H3
InChIKeyTVSYINJWARTOHP-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.81
Rot. Bonds1

About ethane;3-methyl-2-(4-methyl-2-pyridinyl)pyridine

ethane;3-methyl-2-(4-methyl-2-pyridinyl)pyridine (PubChem CID 54336333) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is ethane;3-methyl-2-(4-methyl-2-pyridinyl)pyridine.

Molecular Properties

Compound Nameethane;3-methyl-2-(4-methyl-2-pyridinyl)pyridine
PubChem CID54336333
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Nameethane;3-methyl-2-(4-methyl-2-pyridinyl)pyridine
SMILESCC.CC.Cc1ccnc(-c2ncccc2C)c1
InChIInChI=1S/C12H12N2.2C2H6/c1-9-5-7-13-11(8-9)12-10(2)4-3-6-14-12;2*1-2/h3-8H,1-2H3;2*1-2H3
InChIKeyTVSYINJWARTOHP-UHFFFAOYSA-N
XLogP4.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-2-(4-methyl-2-pyridinyl)pyridine?
The IUPAC name of ethane;3-methyl-2-(4-methyl-2-pyridinyl)pyridine (CID 54336333) is ethane;3-methyl-2-(4-methyl-2-pyridinyl)pyridine.
What is the SMILES notation for ethane;3-methyl-2-(4-methyl-2-pyridinyl)pyridine?
The canonical SMILES for ethane;3-methyl-2-(4-methyl-2-pyridinyl)pyridine is CC.CC.Cc1ccnc(-c2ncccc2C)c1.
What is the InChIKey of ethane;3-methyl-2-(4-methyl-2-pyridinyl)pyridine?
The InChIKey is TVSYINJWARTOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.2C2H6/c1-9-5-7-13-11(8-9)12-10(2)4-3-6-14-12;2*1-2/h3-8H,1-2H3;2*1-2H3.
What are the key properties of ethane;3-methyl-2-(4-methyl-2-pyridinyl)pyridine?
ethane;3-methyl-2-(4-methyl-2-pyridinyl)pyridine has a molecular weight of 244.38 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-2-(4-methyl-2-pyridinyl)pyridine is sourced from PubChem (CID 54336333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).