2-(4-methyl-2-pyridinyl)-4-[2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethyl]pyridine

C24H22N4 — CID 15771932

IUPAC2-(4-methyl-2-pyridinyl)-4-[2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethyl]pyridine
SMILESCc1ccnc(-c2cc(CCc3ccnc(-c4cc(C)ccn4)c3)ccn2)c1
InChIInChI=1S/C24H22N4/c1-17-5-9-25-21(13-17)23-15-19(7-11-27-23)3-4-20-8-12-28-24(16-20)22-14-18(2)6-10-26-22/h5-16H,3-4H2,1-2H3
InChIKeyKLTATORHZNMNDJ-UHFFFAOYSA-N
MW366.47 g/mol
LogP5.00
Rot. Bonds5

About 2-(4-methyl-2-pyridinyl)-4-[2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethyl]pyridine

2-(4-methyl-2-pyridinyl)-4-[2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethyl]pyridine (PubChem CID 15771932) has the molecular formula C24H22N4 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-(4-methyl-2-pyridinyl)-4-[2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethyl]pyridine.

Molecular Properties

Compound Name2-(4-methyl-2-pyridinyl)-4-[2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethyl]pyridine
PubChem CID15771932
Molecular FormulaC24H22N4
Molecular Weight366.47 g/mol
Exact Mass366.18
IUPAC Name2-(4-methyl-2-pyridinyl)-4-[2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethyl]pyridine
SMILESCc1ccnc(-c2cc(CCc3ccnc(-c4cc(C)ccn4)c3)ccn2)c1
InChIInChI=1S/C24H22N4/c1-17-5-9-25-21(13-17)23-15-19(7-11-27-23)3-4-20-8-12-28-24(16-20)22-14-18(2)6-10-26-22/h5-16H,3-4H2,1-2H3
InChIKeyKLTATORHZNMNDJ-UHFFFAOYSA-N
XLogP5.00
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.47
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-pyridinyl)-4-[2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethyl]pyridine?
The IUPAC name of 2-(4-methyl-2-pyridinyl)-4-[2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethyl]pyridine (CID 15771932) is 2-(4-methyl-2-pyridinyl)-4-[2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethyl]pyridine.
What is the SMILES notation for 2-(4-methyl-2-pyridinyl)-4-[2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethyl]pyridine?
The canonical SMILES for 2-(4-methyl-2-pyridinyl)-4-[2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethyl]pyridine is Cc1ccnc(-c2cc(CCc3ccnc(-c4cc(C)ccn4)c3)ccn2)c1.
What is the InChIKey of 2-(4-methyl-2-pyridinyl)-4-[2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethyl]pyridine?
The InChIKey is KLTATORHZNMNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4/c1-17-5-9-25-21(13-17)23-15-19(7-11-27-23)3-4-20-8-12-28-24(16-20)22-14-18(2)6-10-26-22/h5-16H,3-4H2,1-2H3.
What are the key properties of 2-(4-methyl-2-pyridinyl)-4-[2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethyl]pyridine?
2-(4-methyl-2-pyridinyl)-4-[2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethyl]pyridine has a molecular weight of 366.47 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-pyridinyl)-4-[2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethyl]pyridine is sourced from PubChem (CID 15771932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).