N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3-methoxyphenyl)acetamide

C19H15N3O2S — CID 10405532

IUPACN-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2sc(-c3ccncc3)cc2C#N)c1
InChIInChI=1S/C19H15N3O2S/c1-24-16-4-2-3-13(9-16)10-18(23)22-19-15(12-20)11-17(25-19)14-5-7-21-8-6-14/h2-9,11H,10H2,1H3,(H,22,23)
InChIKeyLTUSAJKKNIAALR-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.87
Rot. Bonds5

About N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3-methoxyphenyl)acetamide

N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3-methoxyphenyl)acetamide (PubChem CID 10405532) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3-methoxyphenyl)acetamide
PubChem CID10405532
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC NameN-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2sc(-c3ccncc3)cc2C#N)c1
InChIInChI=1S/C19H15N3O2S/c1-24-16-4-2-3-13(9-16)10-18(23)22-19-15(12-20)11-17(25-19)14-5-7-21-8-6-14/h2-9,11H,10H2,1H3,(H,22,23)
InChIKeyLTUSAJKKNIAALR-UHFFFAOYSA-N
XLogP3.87
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[(3-cyanophenyl)methoxy]-3-pyridinyl]thiophen-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 134812588
N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-(3-methoxyphenyl)acetamide
CID 24830567
N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-(3-methoxyphenyl)acetamide
CID 24830568
N-[4-(2-amino-4-pyridinyl)thiophen-2-yl]-2-(3-methoxyphenyl)acetamide
CID 24830570
2-(3-methoxyphenyl)-N-(4-pyrimidin-4-ylthiophen-2-yl)acetamide
CID 60097359
2-(3-methoxyphenyl)-N-(5-pyridin-4-ylthiophen-2-yl)acetamide
CID 60097396
2-(3-methoxyphenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide
CID 60097605
2-(3-methoxyphenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide
CID 60097665
2-(3-methoxyphenyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)acetamide
CID 60097732
N-Cyclopentyl-2-(3-methoxy-phenyl)-2-[pyridin-3-ylmethyl-(2-thiophen-2-yl-acetyl)-amino]-acetamide
CID 3202684
7-(4-fluoro-2-methoxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one
CID 56677280
N-[4-(5-cyano-2-methoxy-3-pyridinyl)thiophen-2-yl]-2-[4-(methylsulfamoyl)phenyl]acetamide
CID 145951408

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3-methoxyphenyl)acetamide (CID 10405532) is N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)Nc2sc(-c3ccncc3)cc2C#N)c1.
What is the InChIKey of N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3-methoxyphenyl)acetamide?
The InChIKey is LTUSAJKKNIAALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-24-16-4-2-3-13(9-16)10-18(23)22-19-15(12-20)11-17(25-19)14-5-7-21-8-6-14/h2-9,11H,10H2,1H3,(H,22,23).
What are the key properties of N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3-methoxyphenyl)acetamide?
N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3-methoxyphenyl)acetamide has a molecular weight of 349.42 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 10405532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).