N-(6-methoxy-3-pyridinyl)-3-methylthiophene-2-carboxamide

C12H12N2O2S — CID 2466273

IUPACN-(6-methoxy-3-pyridinyl)-3-methylthiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sccc2C)cn1
InChIInChI=1S/C12H12N2O2S/c1-8-5-6-17-11(8)12(15)14-9-3-4-10(16-2)13-7-9/h3-7H,1-2H3,(H,14,15)
InChIKeyDVJRBENVECQQBY-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.71
Rot. Bonds3

About N-(6-methoxy-3-pyridinyl)-3-methylthiophene-2-carboxamide

N-(6-methoxy-3-pyridinyl)-3-methylthiophene-2-carboxamide (PubChem CID 2466273) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-3-methylthiophene-2-carboxamide
PubChem CID2466273
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC NameN-(6-methoxy-3-pyridinyl)-3-methylthiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sccc2C)cn1
InChIInChI=1S/C12H12N2O2S/c1-8-5-6-17-11(8)12(15)14-9-3-4-10(16-2)13-7-9/h3-7H,1-2H3,(H,14,15)
InChIKeyDVJRBENVECQQBY-UHFFFAOYSA-N
XLogP2.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-3-methylthiophene-2-carboxamide (CID 2466273) is N-(6-methoxy-3-pyridinyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-3-methylthiophene-2-carboxamide is COc1ccc(NC(=O)c2sccc2C)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-3-methylthiophene-2-carboxamide?
The InChIKey is DVJRBENVECQQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-8-5-6-17-11(8)12(15)14-9-3-4-10(16-2)13-7-9/h3-7H,1-2H3,(H,14,15).
What are the key properties of N-(6-methoxy-3-pyridinyl)-3-methylthiophene-2-carboxamide?
N-(6-methoxy-3-pyridinyl)-3-methylthiophene-2-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 2466273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).