2-phenyl-N-[(E)-1-pyridin-3-ylethylideneamino]butanamide

C17H19N3O — CID 25237434

IUPAC2-phenyl-N-[(E)-1-pyridin-3-ylethylideneamino]butanamide
SMILESCCC(C(=O)N/N=C(\C)c1cccnc1)c1ccccc1
InChIInChI=1S/C17H19N3O/c1-3-16(14-8-5-4-6-9-14)17(21)20-19-13(2)15-10-7-11-18-12-15/h4-12,16H,3H2,1-2H3,(H,20,21)/b19-13+
InChIKeyZPAIUMLMIHDCJW-CPNJWEJPSA-N
MW281.36 g/mol
LogP3.12
Rot. Bonds5

About 2-phenyl-N-[(E)-1-pyridin-3-ylethylideneamino]butanamide

2-phenyl-N-[(E)-1-pyridin-3-ylethylideneamino]butanamide (PubChem CID 25237434) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-phenyl-N-[(E)-1-pyridin-3-ylethylideneamino]butanamide.

Molecular Properties

Compound Name2-phenyl-N-[(E)-1-pyridin-3-ylethylideneamino]butanamide
PubChem CID25237434
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-phenyl-N-[(E)-1-pyridin-3-ylethylideneamino]butanamide
SMILESCCC(C(=O)N/N=C(\C)c1cccnc1)c1ccccc1
InChIInChI=1S/C17H19N3O/c1-3-16(14-8-5-4-6-9-14)17(21)20-19-13(2)15-10-7-11-18-12-15/h4-12,16H,3H2,1-2H3,(H,20,21)/b19-13+
InChIKeyZPAIUMLMIHDCJW-CPNJWEJPSA-N
XLogP3.12
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.12
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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Related Compounds

(2R)-2-phenyl-N-[(Z)-1-pyridin-3-ylethylideneamino]butanamide
CID 26871484
2-phenyl-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide
CID 5414702
molecular hydrogen;2-[1-oxo-1-[(2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl]propan-2-yl]sulfanyl-N-[(E)-1-pyridin-3-ylethylideneamino]propanamide
CID 172959555
[(Z)-1-pyridin-3-ylethylideneamino]urea
CID 5355222
ethyl N-(1-pyridin-3-ylethylideneamino)carbamate
CID 4153346
N-(1-pyridin-3-ylethylideneamino)nonanamide
CID 5136280
N-(1-pyridin-3-ylethylideneamino)heptanamide
CID 4162270
(2R)-2-phenyl-N-[(E)-1-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]ethylideneamino]butanamide
CID 40574089
2-(pyridine-3-carbonylamino)ethyl 2-phenylbutanoate
CID 69106862
2-(4-hydroxyphenyl)-N-(1-pyridin-3-ylethylideneamino)acetamide
CID 24818553
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-pyridin-3-ylethylideneamino)acetamide
CID 1125378
2-(4-bromophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide
CID 25237297

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(E)-1-pyridin-3-ylethylideneamino]butanamide?
The IUPAC name of 2-phenyl-N-[(E)-1-pyridin-3-ylethylideneamino]butanamide (CID 25237434) is 2-phenyl-N-[(E)-1-pyridin-3-ylethylideneamino]butanamide.
What is the SMILES notation for 2-phenyl-N-[(E)-1-pyridin-3-ylethylideneamino]butanamide?
The canonical SMILES for 2-phenyl-N-[(E)-1-pyridin-3-ylethylideneamino]butanamide is CCC(C(=O)N/N=C(\C)c1cccnc1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-[(E)-1-pyridin-3-ylethylideneamino]butanamide?
The InChIKey is ZPAIUMLMIHDCJW-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H19N3O/c1-3-16(14-8-5-4-6-9-14)17(21)20-19-13(2)15-10-7-11-18-12-15/h4-12,16H,3H2,1-2H3,(H,20,21)/b19-13+.
What are the key properties of 2-phenyl-N-[(E)-1-pyridin-3-ylethylideneamino]butanamide?
2-phenyl-N-[(E)-1-pyridin-3-ylethylideneamino]butanamide has a molecular weight of 281.36 g/mol, XLogP of 3.12, 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)-1-pyridin-3-ylethylideneamino]butanamide is sourced from PubChem (CID 25237434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).