N-[(E)-thiophen-2-ylmethylideneamino]pyridine-3-carboxamide

C11H9N3OS — CID 6876295

IUPACN-[(E)-thiophen-2-ylmethylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1cccs1)c1cccnc1
InChIInChI=1S/C11H9N3OS/c15-11(9-3-1-5-12-7-9)14-13-8-10-4-2-6-16-10/h1-8H,(H,14,15)/b13-8+
InChIKeyHRZHCBHVTXQIDQ-MDWZMJQESA-N
MW231.28 g/mol
LogP1.91
Rot. Bonds3

About N-[(E)-thiophen-2-ylmethylideneamino]pyridine-3-carboxamide

N-[(E)-thiophen-2-ylmethylideneamino]pyridine-3-carboxamide (PubChem CID 6876295) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is N-[(E)-thiophen-2-ylmethylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-thiophen-2-ylmethylideneamino]pyridine-3-carboxamide
PubChem CID6876295
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC NameN-[(E)-thiophen-2-ylmethylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1cccs1)c1cccnc1
InChIInChI=1S/C11H9N3OS/c15-11(9-3-1-5-12-7-9)14-13-8-10-4-2-6-16-10/h1-8H,(H,14,15)/b13-8+
InChIKeyHRZHCBHVTXQIDQ-MDWZMJQESA-N
XLogP1.91
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.91
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 N-[(E)-thiophen-2-ylmethylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-thiophen-2-ylmethylideneamino]pyridine-3-carboxamide (CID 6876295) is N-[(E)-thiophen-2-ylmethylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-thiophen-2-ylmethylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-thiophen-2-ylmethylideneamino]pyridine-3-carboxamide is O=C(N/N=C/c1cccs1)c1cccnc1.
What is the InChIKey of N-[(E)-thiophen-2-ylmethylideneamino]pyridine-3-carboxamide?
The InChIKey is HRZHCBHVTXQIDQ-MDWZMJQESA-N. The full InChI is InChI=1S/C11H9N3OS/c15-11(9-3-1-5-12-7-9)14-13-8-10-4-2-6-16-10/h1-8H,(H,14,15)/b13-8+.
What are the key properties of N-[(E)-thiophen-2-ylmethylideneamino]pyridine-3-carboxamide?
N-[(E)-thiophen-2-ylmethylideneamino]pyridine-3-carboxamide has a molecular weight of 231.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-thiophen-2-ylmethylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 6876295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).