2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]thieno[3,2-c]pyridin-4-amine

C19H14N4S — CID 44528520

IUPAC2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]thieno[3,2-c]pyridin-4-amine
SMILESC(=N/Nc1nccc2sc(-c3ccccc3)cc12)\c1cccnc1
InChIInChI=1S/C19H14N4S/c1-2-6-15(7-3-1)18-11-16-17(24-18)8-10-21-19(16)23-22-13-14-5-4-9-20-12-14/h1-13H,(H,21,23)/b22-13+
InChIKeyLRWWSNFTANQPQU-LPYMAVHISA-N
MW330.42 g/mol
LogP4.80
Rot. Bonds4

About 2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]thieno[3,2-c]pyridin-4-amine

2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]thieno[3,2-c]pyridin-4-amine (PubChem CID 44528520) has the molecular formula C19H14N4S and a molecular weight of 330.42 g/mol. Its IUPAC name is 2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]thieno[3,2-c]pyridin-4-amine
PubChem CID44528520
Molecular FormulaC19H14N4S
Molecular Weight330.42 g/mol
Exact Mass330.09
IUPAC Name2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]thieno[3,2-c]pyridin-4-amine
SMILESC(=N/Nc1nccc2sc(-c3ccccc3)cc12)\c1cccnc1
InChIInChI=1S/C19H14N4S/c1-2-6-15(7-3-1)18-11-16-17(24-18)8-10-21-19(16)23-22-13-14-5-4-9-20-12-14/h1-13H,(H,21,23)/b22-13+
InChIKeyLRWWSNFTANQPQU-LPYMAVHISA-N
XLogP4.80
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]thieno[3,2-c]pyridin-4-amine?
The IUPAC name of 2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]thieno[3,2-c]pyridin-4-amine (CID 44528520) is 2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for 2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for 2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]thieno[3,2-c]pyridin-4-amine is C(=N/Nc1nccc2sc(-c3ccccc3)cc12)\c1cccnc1.
What is the InChIKey of 2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]thieno[3,2-c]pyridin-4-amine?
The InChIKey is LRWWSNFTANQPQU-LPYMAVHISA-N. The full InChI is InChI=1S/C19H14N4S/c1-2-6-15(7-3-1)18-11-16-17(24-18)8-10-21-19(16)23-22-13-14-5-4-9-20-12-14/h1-13H,(H,21,23)/b22-13+.
What are the key properties of 2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]thieno[3,2-c]pyridin-4-amine?
2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]thieno[3,2-c]pyridin-4-amine has a molecular weight of 330.42 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 44528520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).