4-[(3S)-3-naphthalen-1-ylbutyl]-2-pyridin-3-ylpyridine

C24H22N2 — CID 58443292

IUPAC4-[(3S)-3-naphthalen-1-ylbutyl]-2-pyridin-3-ylpyridine
SMILESC[C@@H](CCc1ccnc(-c2cccnc2)c1)c1cccc2ccccc12
InChIInChI=1S/C24H22N2/c1-18(22-10-4-7-20-6-2-3-9-23(20)22)11-12-19-13-15-26-24(16-19)21-8-5-14-25-17-21/h2-10,13-18H,11-12H2,1H3/t18-/m0/s1
InChIKeySHCIDBSSITXMHZ-SFHVURJKSA-N
MW338.45 g/mol
LogP6.03
Rot. Bonds5

About 4-[(3S)-3-naphthalen-1-ylbutyl]-2-pyridin-3-ylpyridine

4-[(3S)-3-naphthalen-1-ylbutyl]-2-pyridin-3-ylpyridine (PubChem CID 58443292) has the molecular formula C24H22N2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-[(3S)-3-naphthalen-1-ylbutyl]-2-pyridin-3-ylpyridine.

Molecular Properties

Compound Name4-[(3S)-3-naphthalen-1-ylbutyl]-2-pyridin-3-ylpyridine
PubChem CID58443292
Molecular FormulaC24H22N2
Molecular Weight338.45 g/mol
Exact Mass338.18
IUPAC Name4-[(3S)-3-naphthalen-1-ylbutyl]-2-pyridin-3-ylpyridine
SMILESC[C@@H](CCc1ccnc(-c2cccnc2)c1)c1cccc2ccccc12
InChIInChI=1S/C24H22N2/c1-18(22-10-4-7-20-6-2-3-9-23(20)22)11-12-19-13-15-26-24(16-19)21-8-5-14-25-17-21/h2-10,13-18H,11-12H2,1H3/t18-/m0/s1
InChIKeySHCIDBSSITXMHZ-SFHVURJKSA-N
XLogP6.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-naphthalen-1-ylbutyl]-2-pyridin-3-ylpyridine?
The IUPAC name of 4-[(3S)-3-naphthalen-1-ylbutyl]-2-pyridin-3-ylpyridine (CID 58443292) is 4-[(3S)-3-naphthalen-1-ylbutyl]-2-pyridin-3-ylpyridine.
What is the SMILES notation for 4-[(3S)-3-naphthalen-1-ylbutyl]-2-pyridin-3-ylpyridine?
The canonical SMILES for 4-[(3S)-3-naphthalen-1-ylbutyl]-2-pyridin-3-ylpyridine is C[C@@H](CCc1ccnc(-c2cccnc2)c1)c1cccc2ccccc12.
What is the InChIKey of 4-[(3S)-3-naphthalen-1-ylbutyl]-2-pyridin-3-ylpyridine?
The InChIKey is SHCIDBSSITXMHZ-SFHVURJKSA-N. The full InChI is InChI=1S/C24H22N2/c1-18(22-10-4-7-20-6-2-3-9-23(20)22)11-12-19-13-15-26-24(16-19)21-8-5-14-25-17-21/h2-10,13-18H,11-12H2,1H3/t18-/m0/s1.
What are the key properties of 4-[(3S)-3-naphthalen-1-ylbutyl]-2-pyridin-3-ylpyridine?
4-[(3S)-3-naphthalen-1-ylbutyl]-2-pyridin-3-ylpyridine has a molecular weight of 338.45 g/mol, XLogP of 6.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-naphthalen-1-ylbutyl]-2-pyridin-3-ylpyridine is sourced from PubChem (CID 58443292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).