2-amino-6-(4-tert-butylphenyl)pyridine-3-carbonitrile

C16H17N3 — CID 55045756

IUPAC2-amino-6-(4-tert-butylphenyl)pyridine-3-carbonitrile
SMILESCC(C)(C)c1ccc(-c2ccc(C#N)c(N)n2)cc1
InChIInChI=1S/C16H17N3/c1-16(2,3)13-7-4-11(5-8-13)14-9-6-12(10-17)15(18)19-14/h4-9H,1-3H3,(H2,18,19)
InChIKeyUKYUCQXNEFQGKP-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.50
Rot. Bonds1

About 2-amino-6-(4-tert-butylphenyl)pyridine-3-carbonitrile

2-amino-6-(4-tert-butylphenyl)pyridine-3-carbonitrile (PubChem CID 55045756) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-amino-6-(4-tert-butylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-tert-butylphenyl)pyridine-3-carbonitrile
PubChem CID55045756
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name2-amino-6-(4-tert-butylphenyl)pyridine-3-carbonitrile
SMILESCC(C)(C)c1ccc(-c2ccc(C#N)c(N)n2)cc1
InChIInChI=1S/C16H17N3/c1-16(2,3)13-7-4-11(5-8-13)14-9-6-12(10-17)15(18)19-14/h4-9H,1-3H3,(H2,18,19)
InChIKeyUKYUCQXNEFQGKP-UHFFFAOYSA-N
XLogP3.50
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-tert-butylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-tert-butylphenyl)pyridine-3-carbonitrile (CID 55045756) is 2-amino-6-(4-tert-butylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-tert-butylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-tert-butylphenyl)pyridine-3-carbonitrile is CC(C)(C)c1ccc(-c2ccc(C#N)c(N)n2)cc1.
What is the InChIKey of 2-amino-6-(4-tert-butylphenyl)pyridine-3-carbonitrile?
The InChIKey is UKYUCQXNEFQGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-16(2,3)13-7-4-11(5-8-13)14-9-6-12(10-17)15(18)19-14/h4-9H,1-3H3,(H2,18,19).
What are the key properties of 2-amino-6-(4-tert-butylphenyl)pyridine-3-carbonitrile?
2-amino-6-(4-tert-butylphenyl)pyridine-3-carbonitrile has a molecular weight of 251.33 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-tert-butylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 55045756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).