5-heptyl-2-[1-[4-(4-propoxyphenyl)phenyl]ethyl]pyridine

C29H37NO — CID 19859414

IUPAC5-heptyl-2-[1-[4-(4-propoxyphenyl)phenyl]ethyl]pyridine
SMILESCCCCCCCc1ccc(C(C)c2ccc(-c3ccc(OCCC)cc3)cc2)nc1
InChIInChI=1S/C29H37NO/c1-4-6-7-8-9-10-24-11-20-29(30-22-24)23(3)25-12-14-26(15-13-25)27-16-18-28(19-17-27)31-21-5-2/h11-20,22-23H,4-10,21H2,1-3H3
InChIKeyISMRHDYLGNELQN-UHFFFAOYSA-N
MW415.62 g/mol
LogP8.20
Rot. Bonds12

About 5-heptyl-2-[1-[4-(4-propoxyphenyl)phenyl]ethyl]pyridine

5-heptyl-2-[1-[4-(4-propoxyphenyl)phenyl]ethyl]pyridine (PubChem CID 19859414) has the molecular formula C29H37NO and a molecular weight of 415.62 g/mol. Its IUPAC name is 5-heptyl-2-[1-[4-(4-propoxyphenyl)phenyl]ethyl]pyridine.

Molecular Properties

Compound Name5-heptyl-2-[1-[4-(4-propoxyphenyl)phenyl]ethyl]pyridine
PubChem CID19859414
Molecular FormulaC29H37NO
Molecular Weight415.62 g/mol
Exact Mass415.29
IUPAC Name5-heptyl-2-[1-[4-(4-propoxyphenyl)phenyl]ethyl]pyridine
SMILESCCCCCCCc1ccc(C(C)c2ccc(-c3ccc(OCCC)cc3)cc2)nc1
InChIInChI=1S/C29H37NO/c1-4-6-7-8-9-10-24-11-20-29(30-22-24)23(3)25-12-14-26(15-13-25)27-16-18-28(19-17-27)31-21-5-2/h11-20,22-23H,4-10,21H2,1-3H3
InChIKeyISMRHDYLGNELQN-UHFFFAOYSA-N
XLogP8.20
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.62
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-heptyl-2-[1-[4-(4-propoxyphenyl)phenyl]ethyl]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

5-heptyl-2-[1-[4-(4-octoxyphenyl)phenyl]ethyl]pyridine
CID 19859422
2-[1-[4-(4-pentoxyphenyl)phenyl]ethyl]-5-pentylpyridine
CID 19859124
2-[1-(4-heptoxyphenyl)ethyl]-5-octylpyridine
CID 19859021
2-[1-(4-octoxyphenyl)ethyl]-5-pentylpyridine
CID 19859018
2-[1-(4-heptoxyphenyl)ethyl]-5-heptylpyridine
CID 19858643
2-[1-[4-(4-heptoxyphenyl)phenyl]ethyl]-5-propylpyridine
CID 19858906
5-butyl-2-[1-(4-octoxyphenyl)ethyl]pyridine
CID 19859623
2-[1-(4-ethoxyphenyl)ethyl]-5-hexylpyridine
CID 19858713
2-[1-(4-pentoxyphenyl)ethyl]-5-propylpyridine
CID 19859674
2-[1-(4-methoxyphenyl)ethyl]-5-pentylpyridine
CID 19858872
2-[1-(4-butoxyphenyl)ethyl]-5-ethylpyridine
CID 19858932
5-pentyl-2-[4-(4-propoxyphenyl)phenyl]pyridine
CID 19859964

Frequently Asked Questions

What is the IUPAC name of 5-heptyl-2-[1-[4-(4-propoxyphenyl)phenyl]ethyl]pyridine?
The IUPAC name of 5-heptyl-2-[1-[4-(4-propoxyphenyl)phenyl]ethyl]pyridine (CID 19859414) is 5-heptyl-2-[1-[4-(4-propoxyphenyl)phenyl]ethyl]pyridine.
What is the SMILES notation for 5-heptyl-2-[1-[4-(4-propoxyphenyl)phenyl]ethyl]pyridine?
The canonical SMILES for 5-heptyl-2-[1-[4-(4-propoxyphenyl)phenyl]ethyl]pyridine is CCCCCCCc1ccc(C(C)c2ccc(-c3ccc(OCCC)cc3)cc2)nc1.
What is the InChIKey of 5-heptyl-2-[1-[4-(4-propoxyphenyl)phenyl]ethyl]pyridine?
The InChIKey is ISMRHDYLGNELQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37NO/c1-4-6-7-8-9-10-24-11-20-29(30-22-24)23(3)25-12-14-26(15-13-25)27-16-18-28(19-17-27)31-21-5-2/h11-20,22-23H,4-10,21H2,1-3H3.
What are the key properties of 5-heptyl-2-[1-[4-(4-propoxyphenyl)phenyl]ethyl]pyridine?
5-heptyl-2-[1-[4-(4-propoxyphenyl)phenyl]ethyl]pyridine has a molecular weight of 415.62 g/mol, XLogP of 8.20, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptyl-2-[1-[4-(4-propoxyphenyl)phenyl]ethyl]pyridine is sourced from PubChem (CID 19859414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).