(E)-2-cyano-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide

C13H9N3OS — CID 2544792

IUPAC(E)-2-cyano-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide
SMILESN#C/C(=C\c1cccs1)C(=O)Nc1ccccn1
InChIInChI=1S/C13H9N3OS/c14-9-10(8-11-4-3-7-18-11)13(17)16-12-5-1-2-6-15-12/h1-8H,(H,15,16,17)/b10-8+
InChIKeyWQKPGXDCYDSBOD-CSKARUKUSA-N
MW255.30 g/mol
LogP2.69
Rot. Bonds3

About (E)-2-cyano-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide

(E)-2-cyano-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide (PubChem CID 2544792) has the molecular formula C13H9N3OS and a molecular weight of 255.30 g/mol. Its IUPAC name is (E)-2-cyano-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide
PubChem CID2544792
Molecular FormulaC13H9N3OS
Molecular Weight255.30 g/mol
Exact Mass255.05
IUPAC Name(E)-2-cyano-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide
SMILESN#C/C(=C\c1cccs1)C(=O)Nc1ccccn1
InChIInChI=1S/C13H9N3OS/c14-9-10(8-11-4-3-7-18-11)13(17)16-12-5-1-2-6-15-12/h1-8H,(H,15,16,17)/b10-8+
InChIKeyWQKPGXDCYDSBOD-CSKARUKUSA-N
XLogP2.69
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-2-cyano-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide (CID 2544792) is (E)-2-cyano-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide is N#C/C(=C\c1cccs1)C(=O)Nc1ccccn1.
What is the InChIKey of (E)-2-cyano-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is WQKPGXDCYDSBOD-CSKARUKUSA-N. The full InChI is InChI=1S/C13H9N3OS/c14-9-10(8-11-4-3-7-18-11)13(17)16-12-5-1-2-6-15-12/h1-8H,(H,15,16,17)/b10-8+.
What are the key properties of (E)-2-cyano-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide?
(E)-2-cyano-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 255.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 2544792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).