5-amino-2-(1-pyridin-4-ylethylamino)benzonitrile

C14H14N4 — CID 61297293

IUPAC5-amino-2-(1-pyridin-4-ylethylamino)benzonitrile
SMILESCC(Nc1ccc(N)cc1C#N)c1ccncc1
InChIInChI=1S/C14H14N4/c1-10(11-4-6-17-7-5-11)18-14-3-2-13(16)8-12(14)9-15/h2-8,10,18H,16H2,1H3
InChIKeyUPDBCDFPUIRYQX-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.71
Rot. Bonds3

About 5-amino-2-(1-pyridin-4-ylethylamino)benzonitrile

5-amino-2-(1-pyridin-4-ylethylamino)benzonitrile (PubChem CID 61297293) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-amino-2-(1-pyridin-4-ylethylamino)benzonitrile.

Molecular Properties

Compound Name5-amino-2-(1-pyridin-4-ylethylamino)benzonitrile
PubChem CID61297293
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name5-amino-2-(1-pyridin-4-ylethylamino)benzonitrile
SMILESCC(Nc1ccc(N)cc1C#N)c1ccncc1
InChIInChI=1S/C14H14N4/c1-10(11-4-6-17-7-5-11)18-14-3-2-13(16)8-12(14)9-15/h2-8,10,18H,16H2,1H3
InChIKeyUPDBCDFPUIRYQX-UHFFFAOYSA-N
XLogP2.71
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[1-(3-aminophenyl)ethylamino]-5-bromobenzonitrile
CID 114895108
2-[1-(3-aminophenyl)ethylamino]-5-chlorobenzonitrile
CID 62494887
2-[1-(4-aminophenyl)ethylamino]-4-methylbenzonitrile
CID 62307844
4-(1-pyridin-4-ylethylamino)-3-(trifluoromethyl)benzonitrile
CID 43687076
2-[1-(4-aminophenyl)ethylamino]-4-chlorobenzonitrile
CID 63081768
2-(4-amino-2-cyanoanilino)-3-methylbutanamide
CID 106343969
3-N-(1-pyridin-4-ylethyl)benzene-1,3-diamine
CID 43524021
2,4-dichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43192035
5-fluoro-2-[[(1R)-1-phenylethyl]amino]benzonitrile
CID 133320611
2,6-dimethyl-4-(1-pyridin-4-ylethylamino)pyridine-3-carbonitrile
CID 81060922
2,4,5-trichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43096623
5-amino-2-(1-thiophen-2-ylpropan-2-ylamino)benzonitrile
CID 55170409

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(1-pyridin-4-ylethylamino)benzonitrile?
The IUPAC name of 5-amino-2-(1-pyridin-4-ylethylamino)benzonitrile (CID 61297293) is 5-amino-2-(1-pyridin-4-ylethylamino)benzonitrile.
What is the SMILES notation for 5-amino-2-(1-pyridin-4-ylethylamino)benzonitrile?
The canonical SMILES for 5-amino-2-(1-pyridin-4-ylethylamino)benzonitrile is CC(Nc1ccc(N)cc1C#N)c1ccncc1.
What is the InChIKey of 5-amino-2-(1-pyridin-4-ylethylamino)benzonitrile?
The InChIKey is UPDBCDFPUIRYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-10(11-4-6-17-7-5-11)18-14-3-2-13(16)8-12(14)9-15/h2-8,10,18H,16H2,1H3.
What are the key properties of 5-amino-2-(1-pyridin-4-ylethylamino)benzonitrile?
5-amino-2-(1-pyridin-4-ylethylamino)benzonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(1-pyridin-4-ylethylamino)benzonitrile is sourced from PubChem (CID 61297293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).