N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide

C15H13N3O — CID 5338182

IUPACN-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
SMILESO=C(N/N=C/C=C/c1ccccc1)c1cccnc1
InChIInChI=1S/C15H13N3O/c19-15(14-9-5-10-16-12-14)18-17-11-4-8-13-6-2-1-3-7-13/h1-12H,(H,18,19)/b8-4+,17-11+
InChIKeySVJATTOEWSHGJI-BAGULLTOSA-N
MW251.29 g/mol
LogP2.51
Rot. Bonds4

About N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide

N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide (PubChem CID 5338182) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
PubChem CID5338182
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC NameN-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
SMILESO=C(N/N=C/C=C/c1ccccc1)c1cccnc1
InChIInChI=1S/C15H13N3O/c19-15(14-9-5-10-16-12-14)18-17-11-4-8-13-6-2-1-3-7-13/h1-12H,(H,18,19)/b8-4+,17-11+
InChIKeySVJATTOEWSHGJI-BAGULLTOSA-N
XLogP2.51
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.51
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)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide (CID 5338182) is N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide is O=C(N/N=C/C=C/c1ccccc1)c1cccnc1.
What is the InChIKey of N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide?
The InChIKey is SVJATTOEWSHGJI-BAGULLTOSA-N. The full InChI is InChI=1S/C15H13N3O/c19-15(14-9-5-10-16-12-14)18-17-11-4-8-13-6-2-1-3-7-13/h1-12H,(H,18,19)/b8-4+,17-11+.
What are the key properties of N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide?
N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide is sourced from PubChem (CID 5338182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).