5-[4-(1-ethoxyethyl)phenyl]pyridine-3-carboxamide

C16H18N2O2 — CID 56707076

IUPAC5-[4-(1-ethoxyethyl)phenyl]pyridine-3-carboxamide
SMILESCCOC(C)c1ccc(-c2cncc(C(N)=O)c2)cc1
InChIInChI=1S/C16H18N2O2/c1-3-20-11(2)12-4-6-13(7-5-12)14-8-15(16(17)19)10-18-9-14/h4-11H,3H2,1-2H3,(H2,17,19)
InChIKeyQGVJAJIJDXQEEL-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.94
Rot. Bonds5

About 5-[4-(1-ethoxyethyl)phenyl]pyridine-3-carboxamide

5-[4-(1-ethoxyethyl)phenyl]pyridine-3-carboxamide (PubChem CID 56707076) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 5-[4-(1-ethoxyethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(1-ethoxyethyl)phenyl]pyridine-3-carboxamide
PubChem CID56707076
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name5-[4-(1-ethoxyethyl)phenyl]pyridine-3-carboxamide
SMILESCCOC(C)c1ccc(-c2cncc(C(N)=O)c2)cc1
InChIInChI=1S/C16H18N2O2/c1-3-20-11(2)12-4-6-13(7-5-12)14-8-15(16(17)19)10-18-9-14/h4-11H,3H2,1-2H3,(H2,17,19)
InChIKeyQGVJAJIJDXQEEL-UHFFFAOYSA-N
XLogP2.94
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-ethoxyethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-[4-(1-ethoxyethyl)phenyl]pyridine-3-carboxamide (CID 56707076) is 5-[4-(1-ethoxyethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(1-ethoxyethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[4-(1-ethoxyethyl)phenyl]pyridine-3-carboxamide is CCOC(C)c1ccc(-c2cncc(C(N)=O)c2)cc1.
What is the InChIKey of 5-[4-(1-ethoxyethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is QGVJAJIJDXQEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-3-20-11(2)12-4-6-13(7-5-12)14-8-15(16(17)19)10-18-9-14/h4-11H,3H2,1-2H3,(H2,17,19).
What are the key properties of 5-[4-(1-ethoxyethyl)phenyl]pyridine-3-carboxamide?
5-[4-(1-ethoxyethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-ethoxyethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 56707076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).