5-amino-6-(3-propan-2-ylphenoxy)pyridine-3-carbonitrile

C15H15N3O — CID 103469450

IUPAC5-amino-6-(3-propan-2-ylphenoxy)pyridine-3-carbonitrile
SMILESCC(C)c1cccc(Oc2ncc(C#N)cc2N)c1
InChIInChI=1S/C15H15N3O/c1-10(2)12-4-3-5-13(7-12)19-15-14(17)6-11(8-16)9-18-15/h3-7,9-10H,17H2,1-2H3
InChIKeyQMVWHPOYEBSKFI-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.45
Rot. Bonds3

About 5-amino-6-(3-propan-2-ylphenoxy)pyridine-3-carbonitrile

5-amino-6-(3-propan-2-ylphenoxy)pyridine-3-carbonitrile (PubChem CID 103469450) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-amino-6-(3-propan-2-ylphenoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-(3-propan-2-ylphenoxy)pyridine-3-carbonitrile
PubChem CID103469450
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name5-amino-6-(3-propan-2-ylphenoxy)pyridine-3-carbonitrile
SMILESCC(C)c1cccc(Oc2ncc(C#N)cc2N)c1
InChIInChI=1S/C15H15N3O/c1-10(2)12-4-3-5-13(7-12)19-15-14(17)6-11(8-16)9-18-15/h3-7,9-10H,17H2,1-2H3
InChIKeyQMVWHPOYEBSKFI-UHFFFAOYSA-N
XLogP3.45
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-(2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbonitrile
CID 103469664
5-amino-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-3-carbonitrile
CID 103469460
5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carbonitrile
CID 103469680
5-amino-6-(4-tert-butylphenoxy)pyridine-3-carbonitrile
CID 103469462
5-amino-6-(4-propoxyphenoxy)pyridine-3-carbonitrile
CID 103469582
5-amino-6-(4-bromo-3-fluorophenoxy)pyridine-3-carbonitrile
CID 103469739
5-amino-6-(2-tert-butylphenoxy)pyridine-3-carbonitrile
CID 68530043
5-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
CID 103469823
4-[(3-amino-5-methyl-2-pyridinyl)oxy]benzonitrile
CID 66280001
5-amino-6-(1-ethylpyrazol-4-yl)oxypyridine-3-carbonitrile
CID 103469812
1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311
5-amino-6-(2-chloro-4-methylphenoxy)pyridine-3-carbonitrile
CID 103469705

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3-propan-2-ylphenoxy)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-(3-propan-2-ylphenoxy)pyridine-3-carbonitrile (CID 103469450) is 5-amino-6-(3-propan-2-ylphenoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-(3-propan-2-ylphenoxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-(3-propan-2-ylphenoxy)pyridine-3-carbonitrile is CC(C)c1cccc(Oc2ncc(C#N)cc2N)c1.
What is the InChIKey of 5-amino-6-(3-propan-2-ylphenoxy)pyridine-3-carbonitrile?
The InChIKey is QMVWHPOYEBSKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10(2)12-4-3-5-13(7-12)19-15-14(17)6-11(8-16)9-18-15/h3-7,9-10H,17H2,1-2H3.
What are the key properties of 5-amino-6-(3-propan-2-ylphenoxy)pyridine-3-carbonitrile?
5-amino-6-(3-propan-2-ylphenoxy)pyridine-3-carbonitrile has a molecular weight of 253.30 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3-propan-2-ylphenoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 103469450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).