2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide

C14H13N3O — CID 6894216

IUPAC2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
SMILESO=C(Cc1ccccc1)N/N=C/c1cccnc1
InChIInChI=1S/C14H13N3O/c18-14(9-12-5-2-1-3-6-12)17-16-11-13-7-4-8-15-10-13/h1-8,10-11H,9H2,(H,17,18)/b16-11+
InChIKeySMUOPVMIAAVILN-LFIBNONCSA-N
MW239.28 g/mol
LogP1.77
Rot. Bonds4

About 2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide

2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide (PubChem CID 6894216) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
PubChem CID6894216
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
SMILESO=C(Cc1ccccc1)N/N=C/c1cccnc1
InChIInChI=1S/C14H13N3O/c18-14(9-12-5-2-1-3-6-12)17-16-11-13-7-4-8-15-10-13/h1-8,10-11H,9H2,(H,17,18)/b16-11+
InChIKeySMUOPVMIAAVILN-LFIBNONCSA-N
XLogP1.77
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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]acetamide?
The IUPAC name of 2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide (CID 6894216) is 2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The canonical SMILES for 2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide is O=C(Cc1ccccc1)N/N=C/c1cccnc1.
What is the InChIKey of 2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The InChIKey is SMUOPVMIAAVILN-LFIBNONCSA-N. The full InChI is InChI=1S/C14H13N3O/c18-14(9-12-5-2-1-3-6-12)17-16-11-13-7-4-8-15-10-13/h1-8,10-11H,9H2,(H,17,18)/b16-11+.
What are the key properties of 2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide has a molecular weight of 239.28 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide is sourced from PubChem (CID 6894216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).