5-amino-6-(4-tert-butylphenoxy)pyridine-3-carbonitrile

C16H17N3O — CID 103469462

IUPAC5-amino-6-(4-tert-butylphenoxy)pyridine-3-carbonitrile
SMILESCC(C)(C)c1ccc(Oc2ncc(C#N)cc2N)cc1
InChIInChI=1S/C16H17N3O/c1-16(2,3)12-4-6-13(7-5-12)20-15-14(18)8-11(9-17)10-19-15/h4-8,10H,18H2,1-3H3
InChIKeyKDWIJMMGOKZDEO-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.63
Rot. Bonds2

About 5-amino-6-(4-tert-butylphenoxy)pyridine-3-carbonitrile

5-amino-6-(4-tert-butylphenoxy)pyridine-3-carbonitrile (PubChem CID 103469462) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-amino-6-(4-tert-butylphenoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-(4-tert-butylphenoxy)pyridine-3-carbonitrile
PubChem CID103469462
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name5-amino-6-(4-tert-butylphenoxy)pyridine-3-carbonitrile
SMILESCC(C)(C)c1ccc(Oc2ncc(C#N)cc2N)cc1
InChIInChI=1S/C16H17N3O/c1-16(2,3)12-4-6-13(7-5-12)20-15-14(18)8-11(9-17)10-19-15/h4-8,10H,18H2,1-3H3
InChIKeyKDWIJMMGOKZDEO-UHFFFAOYSA-N
XLogP3.63
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-(4-propoxyphenoxy)pyridine-3-carbonitrile
CID 103469582
5-amino-6-(2-tert-butylphenoxy)pyridine-3-carbonitrile
CID 68530043
4-[(3-amino-5-methyl-2-pyridinyl)oxy]benzonitrile
CID 66280001
5-amino-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-3-carbonitrile
CID 103469460
5-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
CID 103469823
5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carbonitrile
CID 103469680
5-amino-6-(3-propan-2-ylphenoxy)pyridine-3-carbonitrile
CID 103469450
5-amino-6-(4-bromo-3-fluorophenoxy)pyridine-3-carbonitrile
CID 103469739
5-amino-6-(1-ethylpyrazol-4-yl)oxypyridine-3-carbonitrile
CID 103469812
5-amino-6-(2-chloro-4-methylphenoxy)pyridine-3-carbonitrile
CID 103469705
5-amino-6-(2-methoxy-4-methylphenoxy)pyridine-3-carbonitrile
CID 103469506
5-amino-6-(2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbonitrile
CID 103469664

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(4-tert-butylphenoxy)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-(4-tert-butylphenoxy)pyridine-3-carbonitrile (CID 103469462) is 5-amino-6-(4-tert-butylphenoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-(4-tert-butylphenoxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-(4-tert-butylphenoxy)pyridine-3-carbonitrile is CC(C)(C)c1ccc(Oc2ncc(C#N)cc2N)cc1.
What is the InChIKey of 5-amino-6-(4-tert-butylphenoxy)pyridine-3-carbonitrile?
The InChIKey is KDWIJMMGOKZDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-16(2,3)12-4-6-13(7-5-12)20-15-14(18)8-11(9-17)10-19-15/h4-8,10H,18H2,1-3H3.
What are the key properties of 5-amino-6-(4-tert-butylphenoxy)pyridine-3-carbonitrile?
5-amino-6-(4-tert-butylphenoxy)pyridine-3-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(4-tert-butylphenoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 103469462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).