3-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]thiophene-2-carboxamide

C13H13N3OS — CID 25237301

IUPAC3-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]thiophene-2-carboxamide
SMILESC/C(=N\NC(=O)c1sccc1C)c1cccnc1
InChIInChI=1S/C13H13N3OS/c1-9-5-7-18-12(9)13(17)16-15-10(2)11-4-3-6-14-8-11/h3-8H,1-2H3,(H,16,17)/b15-10+
InChIKeyRFKQFMTXGRAMIT-XNTDXEJSSA-N
MW259.33 g/mol
LogP2.61
Rot. Bonds3

About 3-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]thiophene-2-carboxamide

3-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]thiophene-2-carboxamide (PubChem CID 25237301) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 3-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]thiophene-2-carboxamide
PubChem CID25237301
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name3-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]thiophene-2-carboxamide
SMILESC/C(=N\NC(=O)c1sccc1C)c1cccnc1
InChIInChI=1S/C13H13N3OS/c1-9-5-7-18-12(9)13(17)16-15-10(2)11-4-3-6-14-8-11/h3-8H,1-2H3,(H,16,17)/b15-10+
InChIKeyRFKQFMTXGRAMIT-XNTDXEJSSA-N
XLogP2.61
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]thiophene-2-carboxamide (CID 25237301) is 3-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]thiophene-2-carboxamide is C/C(=N\NC(=O)c1sccc1C)c1cccnc1.
What is the InChIKey of 3-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]thiophene-2-carboxamide?
The InChIKey is RFKQFMTXGRAMIT-XNTDXEJSSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-9-5-7-18-12(9)13(17)16-15-10(2)11-4-3-6-14-8-11/h3-8H,1-2H3,(H,16,17)/b15-10+.
What are the key properties of 3-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]thiophene-2-carboxamide?
3-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]thiophene-2-carboxamide has a molecular weight of 259.33 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 25237301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).