N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]pyridine-4-carboxamide

C16H15N3O — CID 5334283

IUPACN-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]pyridine-4-carboxamide
SMILESCC(/C=C/c1ccccc1)=N\NC(=O)c1ccncc1
InChIInChI=1S/C16H15N3O/c1-13(7-8-14-5-3-2-4-6-14)18-19-16(20)15-9-11-17-12-10-15/h2-12H,1H3,(H,19,20)/b8-7+,18-13+
InChIKeyCOSOIDVYPRKBNX-OZOLYBCPSA-N
MW265.32 g/mol
LogP2.90
Rot. Bonds4

About N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]pyridine-4-carboxamide

N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]pyridine-4-carboxamide (PubChem CID 5334283) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]pyridine-4-carboxamide
PubChem CID5334283
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]pyridine-4-carboxamide
SMILESCC(/C=C/c1ccccc1)=N\NC(=O)c1ccncc1
InChIInChI=1S/C16H15N3O/c1-13(7-8-14-5-3-2-4-6-14)18-19-16(20)15-9-11-17-12-10-15/h2-12H,1H3,(H,19,20)/b8-7+,18-13+
InChIKeyCOSOIDVYPRKBNX-OZOLYBCPSA-N
XLogP2.90
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.90
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 N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]pyridine-4-carboxamide (CID 5334283) is N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]pyridine-4-carboxamide is CC(/C=C/c1ccccc1)=N\NC(=O)c1ccncc1.
What is the InChIKey of N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]pyridine-4-carboxamide?
The InChIKey is COSOIDVYPRKBNX-OZOLYBCPSA-N. The full InChI is InChI=1S/C16H15N3O/c1-13(7-8-14-5-3-2-4-6-14)18-19-16(20)15-9-11-17-12-10-15/h2-12H,1H3,(H,19,20)/b8-7+,18-13+.
What are the key properties of N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]pyridine-4-carboxamide?
N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]pyridine-4-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]pyridine-4-carboxamide is sourced from PubChem (CID 5334283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).