4-methyl-3-[(6-phenyl-3-pyridinyl)methyl]pyridine

C18H16N2 — CID 57330085

IUPAC4-methyl-3-[(6-phenyl-3-pyridinyl)methyl]pyridine
SMILESCc1ccncc1Cc1ccc(-c2ccccc2)nc1
InChIInChI=1S/C18H16N2/c1-14-9-10-19-13-17(14)11-15-7-8-18(20-12-15)16-5-3-2-4-6-16/h2-10,12-13H,11H2,1H3
InChIKeySKQASMWVGNVPQC-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.04
Rot. Bonds3

About 4-methyl-3-[(6-phenyl-3-pyridinyl)methyl]pyridine

4-methyl-3-[(6-phenyl-3-pyridinyl)methyl]pyridine (PubChem CID 57330085) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-methyl-3-[(6-phenyl-3-pyridinyl)methyl]pyridine.

Molecular Properties

Compound Name4-methyl-3-[(6-phenyl-3-pyridinyl)methyl]pyridine
PubChem CID57330085
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name4-methyl-3-[(6-phenyl-3-pyridinyl)methyl]pyridine
SMILESCc1ccncc1Cc1ccc(-c2ccccc2)nc1
InChIInChI=1S/C18H16N2/c1-14-9-10-19-13-17(14)11-15-7-8-18(20-12-15)16-5-3-2-4-6-16/h2-10,12-13H,11H2,1H3
InChIKeySKQASMWVGNVPQC-UHFFFAOYSA-N
XLogP4.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(6-phenyl-3-pyridinyl)methyl]pyridine?
The IUPAC name of 4-methyl-3-[(6-phenyl-3-pyridinyl)methyl]pyridine (CID 57330085) is 4-methyl-3-[(6-phenyl-3-pyridinyl)methyl]pyridine.
What is the SMILES notation for 4-methyl-3-[(6-phenyl-3-pyridinyl)methyl]pyridine?
The canonical SMILES for 4-methyl-3-[(6-phenyl-3-pyridinyl)methyl]pyridine is Cc1ccncc1Cc1ccc(-c2ccccc2)nc1.
What is the InChIKey of 4-methyl-3-[(6-phenyl-3-pyridinyl)methyl]pyridine?
The InChIKey is SKQASMWVGNVPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-14-9-10-19-13-17(14)11-15-7-8-18(20-12-15)16-5-3-2-4-6-16/h2-10,12-13H,11H2,1H3.
What are the key properties of 4-methyl-3-[(6-phenyl-3-pyridinyl)methyl]pyridine?
4-methyl-3-[(6-phenyl-3-pyridinyl)methyl]pyridine has a molecular weight of 260.34 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(6-phenyl-3-pyridinyl)methyl]pyridine is sourced from PubChem (CID 57330085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).