N-(4-ethoxyphenyl)-2-thiophen-3-ylpyridine-3-carboxamide

C18H16N2O2S — CID 50830687

IUPACN-(4-ethoxyphenyl)-2-thiophen-3-ylpyridine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cccnc2-c2ccsc2)cc1
InChIInChI=1S/C18H16N2O2S/c1-2-22-15-7-5-14(6-8-15)20-18(21)16-4-3-10-19-17(16)13-9-11-23-12-13/h3-12H,2H2,1H3,(H,20,21)
InChIKeyJOOGYCTTXAYFIC-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.46
Rot. Bonds5

About N-(4-ethoxyphenyl)-2-thiophen-3-ylpyridine-3-carboxamide

N-(4-ethoxyphenyl)-2-thiophen-3-ylpyridine-3-carboxamide (PubChem CID 50830687) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-thiophen-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-thiophen-3-ylpyridine-3-carboxamide
PubChem CID50830687
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC NameN-(4-ethoxyphenyl)-2-thiophen-3-ylpyridine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cccnc2-c2ccsc2)cc1
InChIInChI=1S/C18H16N2O2S/c1-2-22-15-7-5-14(6-8-15)20-18(21)16-4-3-10-19-17(16)13-9-11-23-12-13/h3-12H,2H2,1H3,(H,20,21)
InChIKeyJOOGYCTTXAYFIC-UHFFFAOYSA-N
XLogP4.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-thiophen-3-ylpyridine-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-thiophen-3-ylpyridine-3-carboxamide (CID 50830687) is N-(4-ethoxyphenyl)-2-thiophen-3-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-thiophen-3-ylpyridine-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-thiophen-3-ylpyridine-3-carboxamide is CCOc1ccc(NC(=O)c2cccnc2-c2ccsc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-thiophen-3-ylpyridine-3-carboxamide?
The InChIKey is JOOGYCTTXAYFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-2-22-15-7-5-14(6-8-15)20-18(21)16-4-3-10-19-17(16)13-9-11-23-12-13/h3-12H,2H2,1H3,(H,20,21).
What are the key properties of N-(4-ethoxyphenyl)-2-thiophen-3-ylpyridine-3-carboxamide?
N-(4-ethoxyphenyl)-2-thiophen-3-ylpyridine-3-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-thiophen-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 50830687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).