N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-thiophen-2-ylacetamide

C14H14N4O2S — CID 11652380

IUPACN-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-thiophen-2-ylacetamide
SMILESCCOc1nc(NC(=O)Cc2cccs2)cc(N)c1C#N
InChIInChI=1S/C14H14N4O2S/c1-2-20-14-10(8-15)11(16)7-12(18-14)17-13(19)6-9-4-3-5-21-9/h3-5,7H,2,6H2,1H3,(H3,16,17,18,19)
InChIKeyZRCWVEZJHDYOKD-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.18
Rot. Bonds5

About N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-thiophen-2-ylacetamide

N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-thiophen-2-ylacetamide (PubChem CID 11652380) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-thiophen-2-ylacetamide
PubChem CID11652380
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC NameN-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-thiophen-2-ylacetamide
SMILESCCOc1nc(NC(=O)Cc2cccs2)cc(N)c1C#N
InChIInChI=1S/C14H14N4O2S/c1-2-20-14-10(8-15)11(16)7-12(18-14)17-13(19)6-9-4-3-5-21-9/h3-5,7H,2,6H2,1H3,(H3,16,17,18,19)
InChIKeyZRCWVEZJHDYOKD-UHFFFAOYSA-N
XLogP2.18
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-thiophen-2-ylacetamide (CID 11652380) is N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-thiophen-2-ylacetamide is CCOc1nc(NC(=O)Cc2cccs2)cc(N)c1C#N.
What is the InChIKey of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-thiophen-2-ylacetamide?
The InChIKey is ZRCWVEZJHDYOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-2-20-14-10(8-15)11(16)7-12(18-14)17-13(19)6-9-4-3-5-21-9/h3-5,7H,2,6H2,1H3,(H3,16,17,18,19).
What are the key properties of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-thiophen-2-ylacetamide?
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-thiophen-2-ylacetamide has a molecular weight of 302.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 11652380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).