N-[2-[5-[2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)acetyl]thiophen-2-yl]ethyl]acetamide

C17H17N3O3S — CID 86795344

IUPACN-[2-[5-[2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)acetyl]thiophen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)Cn2ccc(C)c(C#N)c2=O)s1
InChIInChI=1S/C17H17N3O3S/c1-11-6-8-20(17(23)14(11)9-18)10-15(22)16-4-3-13(24-16)5-7-19-12(2)21/h3-4,6,8H,5,7,10H2,1-2H3,(H,19,21)
InChIKeyHNQPORVRNONSQO-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.65
Rot. Bonds6

About N-[2-[5-[2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)acetyl]thiophen-2-yl]ethyl]acetamide

N-[2-[5-[2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)acetyl]thiophen-2-yl]ethyl]acetamide (PubChem CID 86795344) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[2-[5-[2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)acetyl]thiophen-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)acetyl]thiophen-2-yl]ethyl]acetamide
PubChem CID86795344
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-[2-[5-[2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)acetyl]thiophen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)Cn2ccc(C)c(C#N)c2=O)s1
InChIInChI=1S/C17H17N3O3S/c1-11-6-8-20(17(23)14(11)9-18)10-15(22)16-4-3-13(24-16)5-7-19-12(2)21/h3-4,6,8H,5,7,10H2,1-2H3,(H,19,21)
InChIKeyHNQPORVRNONSQO-UHFFFAOYSA-N
XLogP1.65
TPSA91.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)acetyl]thiophen-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-[2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)acetyl]thiophen-2-yl]ethyl]acetamide (CID 86795344) is N-[2-[5-[2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)acetyl]thiophen-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-[2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)acetyl]thiophen-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-[2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)acetyl]thiophen-2-yl]ethyl]acetamide is CC(=O)NCCc1ccc(C(=O)Cn2ccc(C)c(C#N)c2=O)s1.
What is the InChIKey of N-[2-[5-[2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)acetyl]thiophen-2-yl]ethyl]acetamide?
The InChIKey is HNQPORVRNONSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-11-6-8-20(17(23)14(11)9-18)10-15(22)16-4-3-13(24-16)5-7-19-12(2)21/h3-4,6,8H,5,7,10H2,1-2H3,(H,19,21).
What are the key properties of N-[2-[5-[2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)acetyl]thiophen-2-yl]ethyl]acetamide?
N-[2-[5-[2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)acetyl]thiophen-2-yl]ethyl]acetamide has a molecular weight of 343.41 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)acetyl]thiophen-2-yl]ethyl]acetamide is sourced from PubChem (CID 86795344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).