4-(1,2,2-tripyridin-4-ylcyclobutyl)pyridine

C24H20N4 — CID 68996404

IUPAC4-(1,2,2-tripyridin-4-ylcyclobutyl)pyridine
SMILESc1cc(C2(c3ccncc3)CCC2(c2ccncc2)c2ccncc2)ccn1
InChIInChI=1S/C24H20N4/c1-11-25-12-2-19(1)23(20-3-13-26-14-4-20)9-10-24(23,21-5-15-27-16-6-21)22-7-17-28-18-8-22/h1-8,11-18H,9-10H2
InChIKeyCYYPVNIIDQSEFC-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.33
Rot. Bonds4

About 4-(1,2,2-tripyridin-4-ylcyclobutyl)pyridine

4-(1,2,2-tripyridin-4-ylcyclobutyl)pyridine (PubChem CID 68996404) has the molecular formula C24H20N4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-(1,2,2-tripyridin-4-ylcyclobutyl)pyridine.

Molecular Properties

Compound Name4-(1,2,2-tripyridin-4-ylcyclobutyl)pyridine
PubChem CID68996404
Molecular FormulaC24H20N4
Molecular Weight364.45 g/mol
Exact Mass364.17
IUPAC Name4-(1,2,2-tripyridin-4-ylcyclobutyl)pyridine
SMILESc1cc(C2(c3ccncc3)CCC2(c2ccncc2)c2ccncc2)ccn1
InChIInChI=1S/C24H20N4/c1-11-25-12-2-19(1)23(20-3-13-26-14-4-20)9-10-24(23,21-5-15-27-16-6-21)22-7-17-28-18-8-22/h1-8,11-18H,9-10H2
InChIKeyCYYPVNIIDQSEFC-UHFFFAOYSA-N
XLogP4.33
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,2-tripyridin-4-ylcyclobutyl)pyridine?
The IUPAC name of 4-(1,2,2-tripyridin-4-ylcyclobutyl)pyridine (CID 68996404) is 4-(1,2,2-tripyridin-4-ylcyclobutyl)pyridine.
What is the SMILES notation for 4-(1,2,2-tripyridin-4-ylcyclobutyl)pyridine?
The canonical SMILES for 4-(1,2,2-tripyridin-4-ylcyclobutyl)pyridine is c1cc(C2(c3ccncc3)CCC2(c2ccncc2)c2ccncc2)ccn1.
What is the InChIKey of 4-(1,2,2-tripyridin-4-ylcyclobutyl)pyridine?
The InChIKey is CYYPVNIIDQSEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4/c1-11-25-12-2-19(1)23(20-3-13-26-14-4-20)9-10-24(23,21-5-15-27-16-6-21)22-7-17-28-18-8-22/h1-8,11-18H,9-10H2.
What are the key properties of 4-(1,2,2-tripyridin-4-ylcyclobutyl)pyridine?
4-(1,2,2-tripyridin-4-ylcyclobutyl)pyridine has a molecular weight of 364.45 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,2-tripyridin-4-ylcyclobutyl)pyridine is sourced from PubChem (CID 68996404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).