2-(4-methyl-2-pyridinyl)-4-[(E)-2-[4-(5-pyridin-4-yloxypentoxy)phenyl]ethenyl]pyridine

C29H29N3O2 — CID 102322507

IUPAC2-(4-methyl-2-pyridinyl)-4-[(E)-2-[4-(5-pyridin-4-yloxypentoxy)phenyl]ethenyl]pyridine
SMILESCc1ccnc(-c2cc(/C=C/c3ccc(OCCCCCOc4ccncc4)cc3)ccn2)c1
InChIInChI=1S/C29H29N3O2/c1-23-11-17-31-28(21-23)29-22-25(12-18-32-29)6-5-24-7-9-26(10-8-24)33-19-3-2-4-20-34-27-13-15-30-16-14-27/h5-18,21-22H,2-4,19-20H2,1H3/b6-5+
InChIKeyLHUDVPQRVWUFDN-AATRIKPKSA-N
MW451.57 g/mol
LogP6.65
Rot. Bonds11

About 2-(4-methyl-2-pyridinyl)-4-[(E)-2-[4-(5-pyridin-4-yloxypentoxy)phenyl]ethenyl]pyridine

2-(4-methyl-2-pyridinyl)-4-[(E)-2-[4-(5-pyridin-4-yloxypentoxy)phenyl]ethenyl]pyridine (PubChem CID 102322507) has the molecular formula C29H29N3O2 and a molecular weight of 451.57 g/mol. Its IUPAC name is 2-(4-methyl-2-pyridinyl)-4-[(E)-2-[4-(5-pyridin-4-yloxypentoxy)phenyl]ethenyl]pyridine.

Molecular Properties

Compound Name2-(4-methyl-2-pyridinyl)-4-[(E)-2-[4-(5-pyridin-4-yloxypentoxy)phenyl]ethenyl]pyridine
PubChem CID102322507
Molecular FormulaC29H29N3O2
Molecular Weight451.57 g/mol
Exact Mass451.23
IUPAC Name2-(4-methyl-2-pyridinyl)-4-[(E)-2-[4-(5-pyridin-4-yloxypentoxy)phenyl]ethenyl]pyridine
SMILESCc1ccnc(-c2cc(/C=C/c3ccc(OCCCCCOc4ccncc4)cc3)ccn2)c1
InChIInChI=1S/C29H29N3O2/c1-23-11-17-31-28(21-23)29-22-25(12-18-32-29)6-5-24-7-9-26(10-8-24)33-19-3-2-4-20-34-27-13-15-30-16-14-27/h5-18,21-22H,2-4,19-20H2,1H3/b6-5+
InChIKeyLHUDVPQRVWUFDN-AATRIKPKSA-N
XLogP6.65
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-(4-decoxyphenyl)ethenyl]pyridine
CID 12055704
4-(2-pyridin-4-ylethenyl)-2-[4-[(E)-2-pyridin-4-ylethenyl]-2-pyridinyl]pyridine
CID 154284100
2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 59005134
4-[2-(4-hexoxyphenyl)ethenyl]pyridine;pyridine
CID 69499097
4-[6-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]hexoxy]benzoic acid
CID 102014240
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
CID 54579890
[4-[2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 123271905
[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 90239033
4-[(E)-2-[4-[2-[2-[2-[2-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]pyridine
CID 102398908
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;bis(2-pyrazin-2-ylpyrazine);ruthenium
CID 166511370
4-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]-2-[4-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]-2-pyridinyl]pyridine
CID 102087576
2-(4-methyl-2-pyridinyl)-4-[(E)-2-[5-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]thiophen-2-yl]ethenyl]pyridine
CID 101461246

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-pyridinyl)-4-[(E)-2-[4-(5-pyridin-4-yloxypentoxy)phenyl]ethenyl]pyridine?
The IUPAC name of 2-(4-methyl-2-pyridinyl)-4-[(E)-2-[4-(5-pyridin-4-yloxypentoxy)phenyl]ethenyl]pyridine (CID 102322507) is 2-(4-methyl-2-pyridinyl)-4-[(E)-2-[4-(5-pyridin-4-yloxypentoxy)phenyl]ethenyl]pyridine.
What is the SMILES notation for 2-(4-methyl-2-pyridinyl)-4-[(E)-2-[4-(5-pyridin-4-yloxypentoxy)phenyl]ethenyl]pyridine?
The canonical SMILES for 2-(4-methyl-2-pyridinyl)-4-[(E)-2-[4-(5-pyridin-4-yloxypentoxy)phenyl]ethenyl]pyridine is Cc1ccnc(-c2cc(/C=C/c3ccc(OCCCCCOc4ccncc4)cc3)ccn2)c1.
What is the InChIKey of 2-(4-methyl-2-pyridinyl)-4-[(E)-2-[4-(5-pyridin-4-yloxypentoxy)phenyl]ethenyl]pyridine?
The InChIKey is LHUDVPQRVWUFDN-AATRIKPKSA-N. The full InChI is InChI=1S/C29H29N3O2/c1-23-11-17-31-28(21-23)29-22-25(12-18-32-29)6-5-24-7-9-26(10-8-24)33-19-3-2-4-20-34-27-13-15-30-16-14-27/h5-18,21-22H,2-4,19-20H2,1H3/b6-5+.
What are the key properties of 2-(4-methyl-2-pyridinyl)-4-[(E)-2-[4-(5-pyridin-4-yloxypentoxy)phenyl]ethenyl]pyridine?
2-(4-methyl-2-pyridinyl)-4-[(E)-2-[4-(5-pyridin-4-yloxypentoxy)phenyl]ethenyl]pyridine has a molecular weight of 451.57 g/mol, XLogP of 6.65, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-pyridinyl)-4-[(E)-2-[4-(5-pyridin-4-yloxypentoxy)phenyl]ethenyl]pyridine is sourced from PubChem (CID 102322507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).