N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylthiophene-2-carboxamide

C14H16N2O2S — CID 37488221

IUPACN-[(2-ethoxy-3-pyridinyl)methyl]-3-methylthiophene-2-carboxamide
SMILESCCOc1ncccc1CNC(=O)c1sccc1C
InChIInChI=1S/C14H16N2O2S/c1-3-18-14-11(5-4-7-15-14)9-16-13(17)12-10(2)6-8-19-12/h4-8H,3,9H2,1-2H3,(H,16,17)
InChIKeyAPIMAIUEKUMWGZ-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.78
Rot. Bonds5

About N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylthiophene-2-carboxamide

N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylthiophene-2-carboxamide (PubChem CID 37488221) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxy-3-pyridinyl)methyl]-3-methylthiophene-2-carboxamide
PubChem CID37488221
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-[(2-ethoxy-3-pyridinyl)methyl]-3-methylthiophene-2-carboxamide
SMILESCCOc1ncccc1CNC(=O)c1sccc1C
InChIInChI=1S/C14H16N2O2S/c1-3-18-14-11(5-4-7-15-14)9-16-13(17)12-10(2)6-8-19-12/h4-8H,3,9H2,1-2H3,(H,16,17)
InChIKeyAPIMAIUEKUMWGZ-UHFFFAOYSA-N
XLogP2.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylthiophene-2-carboxamide (CID 37488221) is N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylthiophene-2-carboxamide is CCOc1ncccc1CNC(=O)c1sccc1C.
What is the InChIKey of N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylthiophene-2-carboxamide?
The InChIKey is APIMAIUEKUMWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-3-18-14-11(5-4-7-15-14)9-16-13(17)12-10(2)6-8-19-12/h4-8H,3,9H2,1-2H3,(H,16,17).
What are the key properties of N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylthiophene-2-carboxamide?
N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylthiophene-2-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 37488221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).