1-phenylpentyl pyridine-3-carboxylate

C17H19NO2 — CID 3064051

IUPAC1-phenylpentyl pyridine-3-carboxylate
SMILESCCCCC(OC(=O)c1cccnc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-2-3-11-16(14-8-5-4-6-9-14)20-17(19)15-10-7-12-18-13-15/h4-10,12-13,16H,2-3,11H2,1H3
InChIKeyYPSASZXSBYEQQF-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.17
Rot. Bonds6

About 1-phenylpentyl pyridine-3-carboxylate

1-phenylpentyl pyridine-3-carboxylate (PubChem CID 3064051) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-phenylpentyl pyridine-3-carboxylate.

Molecular Properties

Compound Name1-phenylpentyl pyridine-3-carboxylate
PubChem CID3064051
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-phenylpentyl pyridine-3-carboxylate
SMILESCCCCC(OC(=O)c1cccnc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-2-3-11-16(14-8-5-4-6-9-14)20-17(19)15-10-7-12-18-13-15/h4-10,12-13,16H,2-3,11H2,1H3
InChIKeyYPSASZXSBYEQQF-UHFFFAOYSA-N
XLogP4.17
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenylpentyl pyridine-3-carboxylate?
The IUPAC name of 1-phenylpentyl pyridine-3-carboxylate (CID 3064051) is 1-phenylpentyl pyridine-3-carboxylate.
What is the SMILES notation for 1-phenylpentyl pyridine-3-carboxylate?
The canonical SMILES for 1-phenylpentyl pyridine-3-carboxylate is CCCCC(OC(=O)c1cccnc1)c1ccccc1.
What is the InChIKey of 1-phenylpentyl pyridine-3-carboxylate?
The InChIKey is YPSASZXSBYEQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-3-11-16(14-8-5-4-6-9-14)20-17(19)15-10-7-12-18-13-15/h4-10,12-13,16H,2-3,11H2,1H3.
What are the key properties of 1-phenylpentyl pyridine-3-carboxylate?
1-phenylpentyl pyridine-3-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpentyl pyridine-3-carboxylate is sourced from PubChem (CID 3064051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).