5-(4-cyanophenyl)-1-methyl-6-oxopyridine-3-carbohydrazide

C14H12N4O2 — CID 151720091

IUPAC5-(4-cyanophenyl)-1-methyl-6-oxopyridine-3-carbohydrazide
SMILESCn1cc(C(=O)NN)cc(-c2ccc(C#N)cc2)c1=O
InChIInChI=1S/C14H12N4O2/c1-18-8-11(13(19)17-16)6-12(14(18)20)10-4-2-9(7-15)3-5-10/h2-6,8H,16H2,1H3,(H,17,19)
InChIKeyRIJWUGJYRGVXJP-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.53
Rot. Bonds2

About 5-(4-cyanophenyl)-1-methyl-6-oxopyridine-3-carbohydrazide

5-(4-cyanophenyl)-1-methyl-6-oxopyridine-3-carbohydrazide (PubChem CID 151720091) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 5-(4-cyanophenyl)-1-methyl-6-oxopyridine-3-carbohydrazide.

Molecular Properties

Compound Name5-(4-cyanophenyl)-1-methyl-6-oxopyridine-3-carbohydrazide
PubChem CID151720091
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name5-(4-cyanophenyl)-1-methyl-6-oxopyridine-3-carbohydrazide
SMILESCn1cc(C(=O)NN)cc(-c2ccc(C#N)cc2)c1=O
InChIInChI=1S/C14H12N4O2/c1-18-8-11(13(19)17-16)6-12(14(18)20)10-4-2-9(7-15)3-5-10/h2-6,8H,16H2,1H3,(H,17,19)
InChIKeyRIJWUGJYRGVXJP-UHFFFAOYSA-N
XLogP0.53
TPSA100.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyanophenyl)-1-methyl-6-oxopyridine-3-carbohydrazide?
The IUPAC name of 5-(4-cyanophenyl)-1-methyl-6-oxopyridine-3-carbohydrazide (CID 151720091) is 5-(4-cyanophenyl)-1-methyl-6-oxopyridine-3-carbohydrazide.
What is the SMILES notation for 5-(4-cyanophenyl)-1-methyl-6-oxopyridine-3-carbohydrazide?
The canonical SMILES for 5-(4-cyanophenyl)-1-methyl-6-oxopyridine-3-carbohydrazide is Cn1cc(C(=O)NN)cc(-c2ccc(C#N)cc2)c1=O.
What is the InChIKey of 5-(4-cyanophenyl)-1-methyl-6-oxopyridine-3-carbohydrazide?
The InChIKey is RIJWUGJYRGVXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-18-8-11(13(19)17-16)6-12(14(18)20)10-4-2-9(7-15)3-5-10/h2-6,8H,16H2,1H3,(H,17,19).
What are the key properties of 5-(4-cyanophenyl)-1-methyl-6-oxopyridine-3-carbohydrazide?
5-(4-cyanophenyl)-1-methyl-6-oxopyridine-3-carbohydrazide has a molecular weight of 268.28 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyanophenyl)-1-methyl-6-oxopyridine-3-carbohydrazide is sourced from PubChem (CID 151720091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).