Isonicotinic acid, cinnamylidenehydrazide

C15H13N3O — CID 6862358

IUPACN-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-4-carboxamide
SMILESC1=CC=C(C=C1)/C=C/C=N/NC(=O)C2=CC=NC=C2
InChIInChI=1S/C15H13N3O/c19-15(14-8-11-16-12-9-14)18-17-10-4-7-13-5-2-1-3-6-13/h1-12H,(H,18,19)/b7-4+,17-10+
InChIKeyIZMVXNJRIXIGGM-CUQLSPFUSA-N
MW251.28 g/mol
LogP2.20
Rot. Bonds4

About Isonicotinic acid, cinnamylidenehydrazide

Isonicotinic acid, cinnamylidenehydrazide (PubChem CID 6862358) has the molecular formula C15H13N3O and a molecular weight of 251.28 g/mol. Its IUPAC name is N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameIsonicotinic acid, cinnamylidenehydrazide
PubChem CID6862358
Molecular FormulaC15H13N3O
Molecular Weight251.28 g/mol
Exact Mass251.11
IUPAC NameN-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-4-carboxamide
SMILESC1=CC=C(C=C1)/C=C/C=N/NC(=O)C2=CC=NC=C2
InChIInChI=1S/C15H13N3O/c19-15(14-8-11-16-12-9-14)18-17-10-4-7-13-5-2-1-3-6-13/h1-12H,(H,18,19)/b7-4+,17-10+
InChIKeyIZMVXNJRIXIGGM-CUQLSPFUSA-N
XLogP2.20
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity326

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.20
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 Isonicotinic acid, cinnamylidenehydrazide?
The IUPAC name of Isonicotinic acid, cinnamylidenehydrazide (CID 6862358) is N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-4-carboxamide.
What is the SMILES notation for Isonicotinic acid, cinnamylidenehydrazide?
The canonical SMILES for Isonicotinic acid, cinnamylidenehydrazide is C1=CC=C(C=C1)/C=C/C=N/NC(=O)C2=CC=NC=C2.
What is the InChIKey of Isonicotinic acid, cinnamylidenehydrazide?
The InChIKey is IZMVXNJRIXIGGM-CUQLSPFUSA-N. The full InChI is InChI=1S/C15H13N3O/c19-15(14-8-11-16-12-9-14)18-17-10-4-7-13-5-2-1-3-6-13/h1-12H,(H,18,19)/b7-4+,17-10+.
What are the key properties of Isonicotinic acid, cinnamylidenehydrazide?
Isonicotinic acid, cinnamylidenehydrazide has a molecular weight of 251.28 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Isonicotinic acid, cinnamylidenehydrazide is sourced from PubChem (CID 6862358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).