4-butan-2-yl-2-naphthalen-1-ylpyridine

C19H19N — CID 91469714

IUPAC4-butan-2-yl-2-naphthalen-1-ylpyridine
SMILESCCC(C)c1ccnc(-c2cccc3ccccc23)c1
InChIInChI=1S/C19H19N/c1-3-14(2)16-11-12-20-19(13-16)18-10-6-8-15-7-4-5-9-17(15)18/h4-14H,3H2,1-2H3
InChIKeyNDVVECNMDZRHKP-UHFFFAOYSA-N
MW261.37 g/mol
LogP5.42
Rot. Bonds3

About 4-butan-2-yl-2-naphthalen-1-ylpyridine

4-butan-2-yl-2-naphthalen-1-ylpyridine (PubChem CID 91469714) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-butan-2-yl-2-naphthalen-1-ylpyridine.

Molecular Properties

Compound Name4-butan-2-yl-2-naphthalen-1-ylpyridine
PubChem CID91469714
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name4-butan-2-yl-2-naphthalen-1-ylpyridine
SMILESCCC(C)c1ccnc(-c2cccc3ccccc23)c1
InChIInChI=1S/C19H19N/c1-3-14(2)16-11-12-20-19(13-16)18-10-6-8-15-7-4-5-9-17(15)18/h4-14H,3H2,1-2H3
InChIKeyNDVVECNMDZRHKP-UHFFFAOYSA-N
XLogP5.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.37
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2-naphthalen-1-ylpyridine?
The IUPAC name of 4-butan-2-yl-2-naphthalen-1-ylpyridine (CID 91469714) is 4-butan-2-yl-2-naphthalen-1-ylpyridine.
What is the SMILES notation for 4-butan-2-yl-2-naphthalen-1-ylpyridine?
The canonical SMILES for 4-butan-2-yl-2-naphthalen-1-ylpyridine is CCC(C)c1ccnc(-c2cccc3ccccc23)c1.
What is the InChIKey of 4-butan-2-yl-2-naphthalen-1-ylpyridine?
The InChIKey is NDVVECNMDZRHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N/c1-3-14(2)16-11-12-20-19(13-16)18-10-6-8-15-7-4-5-9-17(15)18/h4-14H,3H2,1-2H3.
What are the key properties of 4-butan-2-yl-2-naphthalen-1-ylpyridine?
4-butan-2-yl-2-naphthalen-1-ylpyridine has a molecular weight of 261.37 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2-naphthalen-1-ylpyridine is sourced from PubChem (CID 91469714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).