N'-[1-[4-(dimethylamino)phenyl]ethenyl]pyridine-4-carbohydrazide

C16H18N4O — CID 4694656

IUPACN'-[1-[4-(dimethylamino)phenyl]ethenyl]pyridine-4-carbohydrazide
SMILESC=C(NNC(=O)c1ccncc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H18N4O/c1-12(13-4-6-15(7-5-13)20(2)3)18-19-16(21)14-8-10-17-11-9-14/h4-11,18H,1H2,2-3H3,(H,19,21)
InChIKeyCYQNLICVZHFVRW-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.05
Rot. Bonds5

About N'-[1-[4-(dimethylamino)phenyl]ethenyl]pyridine-4-carbohydrazide

N'-[1-[4-(dimethylamino)phenyl]ethenyl]pyridine-4-carbohydrazide (PubChem CID 4694656) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N'-[1-[4-(dimethylamino)phenyl]ethenyl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[1-[4-(dimethylamino)phenyl]ethenyl]pyridine-4-carbohydrazide
PubChem CID4694656
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN'-[1-[4-(dimethylamino)phenyl]ethenyl]pyridine-4-carbohydrazide
SMILESC=C(NNC(=O)c1ccncc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H18N4O/c1-12(13-4-6-15(7-5-13)20(2)3)18-19-16(21)14-8-10-17-11-9-14/h4-11,18H,1H2,2-3H3,(H,19,21)
InChIKeyCYQNLICVZHFVRW-UHFFFAOYSA-N
XLogP2.05
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', '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'-[1-[4-(dimethylamino)phenyl]ethenyl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[1-[4-(dimethylamino)phenyl]ethenyl]pyridine-4-carbohydrazide (CID 4694656) is N'-[1-[4-(dimethylamino)phenyl]ethenyl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[1-[4-(dimethylamino)phenyl]ethenyl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[1-[4-(dimethylamino)phenyl]ethenyl]pyridine-4-carbohydrazide is C=C(NNC(=O)c1ccncc1)c1ccc(N(C)C)cc1.
What is the InChIKey of N'-[1-[4-(dimethylamino)phenyl]ethenyl]pyridine-4-carbohydrazide?
The InChIKey is CYQNLICVZHFVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-12(13-4-6-15(7-5-13)20(2)3)18-19-16(21)14-8-10-17-11-9-14/h4-11,18H,1H2,2-3H3,(H,19,21).
What are the key properties of N'-[1-[4-(dimethylamino)phenyl]ethenyl]pyridine-4-carbohydrazide?
N'-[1-[4-(dimethylamino)phenyl]ethenyl]pyridine-4-carbohydrazide has a molecular weight of 282.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[4-(dimethylamino)phenyl]ethenyl]pyridine-4-carbohydrazide is sourced from PubChem (CID 4694656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).