4-(2,3,5,6-tetrapropoxy-4-pyridin-4-ylphenyl)pyridine

C28H36N2O4 — CID 102441493

IUPAC4-(2,3,5,6-tetrapropoxy-4-pyridin-4-ylphenyl)pyridine
SMILESCCCOc1c(OCCC)c(-c2ccncc2)c(OCCC)c(OCCC)c1-c1ccncc1
InChIInChI=1S/C28H36N2O4/c1-5-17-31-25-23(21-9-13-29-14-10-21)27(33-19-7-3)28(34-20-8-4)24(26(25)32-18-6-2)22-11-15-30-16-12-22/h9-16H,5-8,17-20H2,1-4H3
InChIKeyBRLREIQMYJUNSC-UHFFFAOYSA-N
MW464.61 g/mol
LogP6.97
Rot. Bonds14

About 4-(2,3,5,6-tetrapropoxy-4-pyridin-4-ylphenyl)pyridine

4-(2,3,5,6-tetrapropoxy-4-pyridin-4-ylphenyl)pyridine (PubChem CID 102441493) has the molecular formula C28H36N2O4 and a molecular weight of 464.61 g/mol. Its IUPAC name is 4-(2,3,5,6-tetrapropoxy-4-pyridin-4-ylphenyl)pyridine.

Molecular Properties

Compound Name4-(2,3,5,6-tetrapropoxy-4-pyridin-4-ylphenyl)pyridine
PubChem CID102441493
Molecular FormulaC28H36N2O4
Molecular Weight464.61 g/mol
Exact Mass464.27
IUPAC Name4-(2,3,5,6-tetrapropoxy-4-pyridin-4-ylphenyl)pyridine
SMILESCCCOc1c(OCCC)c(-c2ccncc2)c(OCCC)c(OCCC)c1-c1ccncc1
InChIInChI=1S/C28H36N2O4/c1-5-17-31-25-23(21-9-13-29-14-10-21)27(33-19-7-3)28(34-20-8-4)24(26(25)32-18-6-2)22-11-15-30-16-12-22/h9-16H,5-8,17-20H2,1-4H3
InChIKeyBRLREIQMYJUNSC-UHFFFAOYSA-N
XLogP6.97
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(2,3,5,6-tetrapropoxy-4-pyridin-4-ylphenyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-propoxypyrimidine
CID 23198177
4-(2,4,6-trimethyl-3,5-dipyridin-4-ylphenyl)pyridine
CID 132532788
2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile
CID 70050897
4-[25,26,27,28-tetrakis(2-ethoxyethoxy)-11,17,23-tripyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]pyridine
CID 10534052
4-pentoxypyridine
CID 23560340
4-chloro-3-propoxypyridine
CID 91927090
3-ethoxy-4-propoxypyridine
CID 90961233
2,3,6,7,10,11-hexapropoxytriphenylene
CID 15531608
1,3-di(propan-2-yl)-2-propoxybenzene
CID 59277560
1,3-dimethyl-2-propoxybenzene
CID 579040
ethane;4-pyridin-4-ylpyridine
CID 142013036
6-methyl-2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile
CID 14640634

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,5,6-tetrapropoxy-4-pyridin-4-ylphenyl)pyridine?
The IUPAC name of 4-(2,3,5,6-tetrapropoxy-4-pyridin-4-ylphenyl)pyridine (CID 102441493) is 4-(2,3,5,6-tetrapropoxy-4-pyridin-4-ylphenyl)pyridine.
What is the SMILES notation for 4-(2,3,5,6-tetrapropoxy-4-pyridin-4-ylphenyl)pyridine?
The canonical SMILES for 4-(2,3,5,6-tetrapropoxy-4-pyridin-4-ylphenyl)pyridine is CCCOc1c(OCCC)c(-c2ccncc2)c(OCCC)c(OCCC)c1-c1ccncc1.
What is the InChIKey of 4-(2,3,5,6-tetrapropoxy-4-pyridin-4-ylphenyl)pyridine?
The InChIKey is BRLREIQMYJUNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O4/c1-5-17-31-25-23(21-9-13-29-14-10-21)27(33-19-7-3)28(34-20-8-4)24(26(25)32-18-6-2)22-11-15-30-16-12-22/h9-16H,5-8,17-20H2,1-4H3.
What are the key properties of 4-(2,3,5,6-tetrapropoxy-4-pyridin-4-ylphenyl)pyridine?
4-(2,3,5,6-tetrapropoxy-4-pyridin-4-ylphenyl)pyridine has a molecular weight of 464.61 g/mol, XLogP of 6.97, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,5,6-tetrapropoxy-4-pyridin-4-ylphenyl)pyridine is sourced from PubChem (CID 102441493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).