2-amino-6-tert-butyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile

C17H19N3O — CID 17384299

IUPAC2-amino-6-tert-butyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(C(C)(C)C)nc(N)c2C#N)cc1
InChIInChI=1S/C17H19N3O/c1-17(2,3)15-9-13(14(10-18)16(19)20-15)11-5-7-12(21-4)8-6-11/h5-9H,1-4H3,(H2,19,20)
InChIKeyWSUBPIADHWVYGZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.51
Rot. Bonds2

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

2-amino-6-tert-butyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile (PubChem CID 17384299) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-amino-6-tert-butyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-tert-butyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile
PubChem CID17384299
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-amino-6-tert-butyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(C(C)(C)C)nc(N)c2C#N)cc1
InChIInChI=1S/C17H19N3O/c1-17(2,3)15-9-13(14(10-18)16(19)20-15)11-5-7-12(21-4)8-6-11/h5-9H,1-4H3,(H2,19,20)
InChIKeyWSUBPIADHWVYGZ-UHFFFAOYSA-N
XLogP3.51
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-tert-butyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-tert-butyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile (CID 17384299) is 2-amino-6-tert-butyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-tert-butyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-tert-butyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile is COc1ccc(-c2cc(C(C)(C)C)nc(N)c2C#N)cc1.
What is the InChIKey of 2-amino-6-tert-butyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is WSUBPIADHWVYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-17(2,3)15-9-13(14(10-18)16(19)20-15)11-5-7-12(21-4)8-6-11/h5-9H,1-4H3,(H2,19,20).
What are the key properties of 2-amino-6-tert-butyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile?
2-amino-6-tert-butyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-tert-butyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 17384299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).