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

C16H17N3O — CID 25237256

IUPAC2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]butanamide
SMILESCCC(C(=O)N/N=C/c1cccnc1)c1ccccc1
InChIInChI=1S/C16H17N3O/c1-2-15(14-8-4-3-5-9-14)16(20)19-18-12-13-7-6-10-17-11-13/h3-12,15H,2H2,1H3,(H,19,20)/b18-12+
InChIKeyKSOTWIHEFWUOGI-LDADJPATSA-N
MW267.33 g/mol
LogP2.73
Rot. Bonds5

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

2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]butanamide (PubChem CID 25237256) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]butanamide.

Molecular Properties

Compound Name2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]butanamide
PubChem CID25237256
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]butanamide
SMILESCCC(C(=O)N/N=C/c1cccnc1)c1ccccc1
InChIInChI=1S/C16H17N3O/c1-2-15(14-8-4-3-5-9-14)16(20)19-18-12-13-7-6-10-17-11-13/h3-12,15H,2H2,1H3,(H,19,20)/b18-12+
InChIKeyKSOTWIHEFWUOGI-LDADJPATSA-N
XLogP2.73
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.73
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]butanamide?
The IUPAC name of 2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]butanamide (CID 25237256) is 2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]butanamide.
What is the SMILES notation for 2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]butanamide?
The canonical SMILES for 2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]butanamide is CCC(C(=O)N/N=C/c1cccnc1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]butanamide?
The InChIKey is KSOTWIHEFWUOGI-LDADJPATSA-N. The full InChI is InChI=1S/C16H17N3O/c1-2-15(14-8-4-3-5-9-14)16(20)19-18-12-13-7-6-10-17-11-13/h3-12,15H,2H2,1H3,(H,19,20)/b18-12+.
What are the key properties of 2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]butanamide?
2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]butanamide has a molecular weight of 267.33 g/mol, XLogP of 2.73, 5 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]butanamide is sourced from PubChem (CID 25237256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).