2-anilino-6-tert-butylpyridine-3-carbonitrile

C16H17N3 — CID 167790421

IUPAC2-anilino-6-tert-butylpyridine-3-carbonitrile
SMILESCC(C)(C)c1ccc(C#N)c(Nc2ccccc2)n1
InChIInChI=1S/C16H17N3/c1-16(2,3)14-10-9-12(11-17)15(19-14)18-13-7-5-4-6-8-13/h4-10H,1-3H3,(H,18,19)
InChIKeyXBLLMBRAJTYJCA-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.99
Rot. Bonds2

About 2-anilino-6-tert-butylpyridine-3-carbonitrile

2-anilino-6-tert-butylpyridine-3-carbonitrile (PubChem CID 167790421) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-anilino-6-tert-butylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-anilino-6-tert-butylpyridine-3-carbonitrile
PubChem CID167790421
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name2-anilino-6-tert-butylpyridine-3-carbonitrile
SMILESCC(C)(C)c1ccc(C#N)c(Nc2ccccc2)n1
InChIInChI=1S/C16H17N3/c1-16(2,3)14-10-9-12(11-17)15(19-14)18-13-7-5-4-6-8-13/h4-10H,1-3H3,(H,18,19)
InChIKeyXBLLMBRAJTYJCA-UHFFFAOYSA-N
XLogP3.99
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-6-tert-butylpyridine-3-carbonitrile?
The IUPAC name of 2-anilino-6-tert-butylpyridine-3-carbonitrile (CID 167790421) is 2-anilino-6-tert-butylpyridine-3-carbonitrile.
What is the SMILES notation for 2-anilino-6-tert-butylpyridine-3-carbonitrile?
The canonical SMILES for 2-anilino-6-tert-butylpyridine-3-carbonitrile is CC(C)(C)c1ccc(C#N)c(Nc2ccccc2)n1.
What is the InChIKey of 2-anilino-6-tert-butylpyridine-3-carbonitrile?
The InChIKey is XBLLMBRAJTYJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-16(2,3)14-10-9-12(11-17)15(19-14)18-13-7-5-4-6-8-13/h4-10H,1-3H3,(H,18,19).
What are the key properties of 2-anilino-6-tert-butylpyridine-3-carbonitrile?
2-anilino-6-tert-butylpyridine-3-carbonitrile has a molecular weight of 251.33 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-6-tert-butylpyridine-3-carbonitrile is sourced from PubChem (CID 167790421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).