5-methyl-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide

C12H12N2OS — CID 1246960

IUPAC5-methyl-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide
SMILESCc1cc(C(=O)NCc2cccnc2)cs1
InChIInChI=1S/C12H12N2OS/c1-9-5-11(8-16-9)12(15)14-7-10-3-2-4-13-6-10/h2-6,8H,7H2,1H3,(H,14,15)
InChIKeyRRBHBNAULPSGEE-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.38
Rot. Bonds3

About 5-methyl-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide

5-methyl-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide (PubChem CID 1246960) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 5-methyl-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide
PubChem CID1246960
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name5-methyl-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide
SMILESCc1cc(C(=O)NCc2cccnc2)cs1
InChIInChI=1S/C12H12N2OS/c1-9-5-11(8-16-9)12(15)14-7-10-3-2-4-13-6-10/h2-6,8H,7H2,1H3,(H,14,15)
InChIKeyRRBHBNAULPSGEE-UHFFFAOYSA-N
XLogP2.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of 5-methyl-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide (CID 1246960) is 5-methyl-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for 5-methyl-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide is Cc1cc(C(=O)NCc2cccnc2)cs1.
What is the InChIKey of 5-methyl-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide?
The InChIKey is RRBHBNAULPSGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-9-5-11(8-16-9)12(15)14-7-10-3-2-4-13-6-10/h2-6,8H,7H2,1H3,(H,14,15).
What are the key properties of 5-methyl-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide?
5-methyl-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide has a molecular weight of 232.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 1246960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).