6-(4-tert-butylphenyl)-2-hydrazinylpyridine-3-carbonitrile

C16H18N4 — CID 62252464

IUPAC6-(4-tert-butylphenyl)-2-hydrazinylpyridine-3-carbonitrile
SMILESCC(C)(C)c1ccc(-c2ccc(C#N)c(NN)n2)cc1
InChIInChI=1S/C16H18N4/c1-16(2,3)13-7-4-11(5-8-13)14-9-6-12(10-17)15(19-14)20-18/h4-9H,18H2,1-3H3,(H,19,20)
InChIKeyJFIDJVBOTIFFPI-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.20
Rot. Bonds2

About 6-(4-tert-butylphenyl)-2-hydrazinylpyridine-3-carbonitrile

6-(4-tert-butylphenyl)-2-hydrazinylpyridine-3-carbonitrile (PubChem CID 62252464) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)-2-hydrazinylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-tert-butylphenyl)-2-hydrazinylpyridine-3-carbonitrile
PubChem CID62252464
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name6-(4-tert-butylphenyl)-2-hydrazinylpyridine-3-carbonitrile
SMILESCC(C)(C)c1ccc(-c2ccc(C#N)c(NN)n2)cc1
InChIInChI=1S/C16H18N4/c1-16(2,3)13-7-4-11(5-8-13)14-9-6-12(10-17)15(19-14)20-18/h4-9H,18H2,1-3H3,(H,19,20)
InChIKeyJFIDJVBOTIFFPI-UHFFFAOYSA-N
XLogP3.20
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ST001233
CID 610514
2-Amino-4,6-diphenylpyridine-3-carbonitrile
CID 668105
2-Amino-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile
CID 695136
4-(4-Methylphenyl)-6-phenylpyridin-2-amine
CID 2113077
4-[(E)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzonitrile
CID 9642144
2-Amino-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile
CID 917384
2-Amino-5,6-dimethyl-4-phenylnicotinonitrile
CID 650363
2-Amino-4-[3-(methyl)phenyl]-6-phenyl-3-pyridinecarbonitrile
CID 3349998
2-Amino-6-ethyl-4-(4-fluorophenyl)-5-methylnicotinonitrile
CID 4639012
2-amino-4-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 872811
2-Amino-6-cyclopropyl-4-phenylnicotinonitrile
CID 668120
2-Amino-6-isobutyl-5-methyl-4-phenylnicotinonitrile
CID 748943

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenyl)-2-hydrazinylpyridine-3-carbonitrile?
The IUPAC name of 6-(4-tert-butylphenyl)-2-hydrazinylpyridine-3-carbonitrile (CID 62252464) is 6-(4-tert-butylphenyl)-2-hydrazinylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-tert-butylphenyl)-2-hydrazinylpyridine-3-carbonitrile?
The canonical SMILES for 6-(4-tert-butylphenyl)-2-hydrazinylpyridine-3-carbonitrile is CC(C)(C)c1ccc(-c2ccc(C#N)c(NN)n2)cc1.
What is the InChIKey of 6-(4-tert-butylphenyl)-2-hydrazinylpyridine-3-carbonitrile?
The InChIKey is JFIDJVBOTIFFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-16(2,3)13-7-4-11(5-8-13)14-9-6-12(10-17)15(19-14)20-18/h4-9H,18H2,1-3H3,(H,19,20).
What are the key properties of 6-(4-tert-butylphenyl)-2-hydrazinylpyridine-3-carbonitrile?
6-(4-tert-butylphenyl)-2-hydrazinylpyridine-3-carbonitrile has a molecular weight of 266.35 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylphenyl)-2-hydrazinylpyridine-3-carbonitrile is sourced from PubChem (CID 62252464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).