2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-6-methylpyridine-4-carbonitrile

C17H18N4 — CID 114770250

IUPAC2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NC2CCCc3cc(N)ccc32)n1
InChIInChI=1S/C17H18N4/c1-11-7-12(10-18)8-17(20-11)21-16-4-2-3-13-9-14(19)5-6-15(13)16/h5-9,16H,2-4,19H2,1H3,(H,20,21)
InChIKeyXOBYRRJCOOVZFH-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.33
Rot. Bonds2

About 2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-6-methylpyridine-4-carbonitrile

2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-6-methylpyridine-4-carbonitrile (PubChem CID 114770250) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-6-methylpyridine-4-carbonitrile
PubChem CID114770250
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NC2CCCc3cc(N)ccc32)n1
InChIInChI=1S/C17H18N4/c1-11-7-12(10-18)8-17(20-11)21-16-4-2-3-13-9-14(19)5-6-15(13)16/h5-9,16H,2-4,19H2,1H3,(H,20,21)
InChIKeyXOBYRRJCOOVZFH-UHFFFAOYSA-N
XLogP3.33
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-6-methylpyridine-4-carbonitrile (CID 114770250) is 2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(NC2CCCc3cc(N)ccc32)n1.
What is the InChIKey of 2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-6-methylpyridine-4-carbonitrile?
The InChIKey is XOBYRRJCOOVZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-11-7-12(10-18)8-17(20-11)21-16-4-2-3-13-9-14(19)5-6-15(13)16/h5-9,16H,2-4,19H2,1H3,(H,20,21).
What are the key properties of 2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-6-methylpyridine-4-carbonitrile?
2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-6-methylpyridine-4-carbonitrile has a molecular weight of 278.36 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114770250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).