2-ethoxy-N-naphthalen-2-ylpyridine-4-carboxamide

C18H16N2O2 — CID 86967497

IUPAC2-ethoxy-N-naphthalen-2-ylpyridine-4-carboxamide
SMILESCCOc1cc(C(=O)Nc2ccc3ccccc3c2)ccn1
InChIInChI=1S/C18H16N2O2/c1-2-22-17-12-15(9-10-19-17)18(21)20-16-8-7-13-5-3-4-6-14(13)11-16/h3-12H,2H2,1H3,(H,20,21)
InChIKeyBJVDWIZFCSGRRO-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.89
Rot. Bonds4

About 2-ethoxy-N-naphthalen-2-ylpyridine-4-carboxamide

2-ethoxy-N-naphthalen-2-ylpyridine-4-carboxamide (PubChem CID 86967497) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-ethoxy-N-naphthalen-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-naphthalen-2-ylpyridine-4-carboxamide
PubChem CID86967497
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-ethoxy-N-naphthalen-2-ylpyridine-4-carboxamide
SMILESCCOc1cc(C(=O)Nc2ccc3ccccc3c2)ccn1
InChIInChI=1S/C18H16N2O2/c1-2-22-17-12-15(9-10-19-17)18(21)20-16-8-7-13-5-3-4-6-14(13)11-16/h3-12H,2H2,1H3,(H,20,21)
InChIKeyBJVDWIZFCSGRRO-UHFFFAOYSA-N
XLogP3.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-naphthalen-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-ethoxy-N-naphthalen-2-ylpyridine-4-carboxamide (CID 86967497) is 2-ethoxy-N-naphthalen-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-ethoxy-N-naphthalen-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-ethoxy-N-naphthalen-2-ylpyridine-4-carboxamide is CCOc1cc(C(=O)Nc2ccc3ccccc3c2)ccn1.
What is the InChIKey of 2-ethoxy-N-naphthalen-2-ylpyridine-4-carboxamide?
The InChIKey is BJVDWIZFCSGRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-2-22-17-12-15(9-10-19-17)18(21)20-16-8-7-13-5-3-4-6-14(13)11-16/h3-12H,2H2,1H3,(H,20,21).
What are the key properties of 2-ethoxy-N-naphthalen-2-ylpyridine-4-carboxamide?
2-ethoxy-N-naphthalen-2-ylpyridine-4-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-naphthalen-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 86967497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).