5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carbonitrile

C14H14N4O — CID 103469680

IUPAC5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carbonitrile
SMILESCN(C)c1cccc(Oc2ncc(C#N)cc2N)c1
InChIInChI=1S/C14H14N4O/c1-18(2)11-4-3-5-12(7-11)19-14-13(16)6-10(8-15)9-17-14/h3-7,9H,16H2,1-2H3
InChIKeyWMQBSVJAQKAKAZ-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.39
Rot. Bonds3

About 5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carbonitrile

5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carbonitrile (PubChem CID 103469680) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carbonitrile
PubChem CID103469680
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carbonitrile
SMILESCN(C)c1cccc(Oc2ncc(C#N)cc2N)c1
InChIInChI=1S/C14H14N4O/c1-18(2)11-4-3-5-12(7-11)19-14-13(16)6-10(8-15)9-17-14/h3-7,9H,16H2,1-2H3
InChIKeyWMQBSVJAQKAKAZ-UHFFFAOYSA-N
XLogP2.39
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-(3-propan-2-ylphenoxy)pyridine-3-carbonitrile
CID 103469450
3-[3-(dimethylamino)phenoxy]benzonitrile
CID 102818049
5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carboxylic acid
CID 81439249
5-amino-6-(4-tert-butylphenoxy)pyridine-3-carbonitrile
CID 103469462
5-amino-6-(4-propoxyphenoxy)pyridine-3-carbonitrile
CID 103469582
5-amino-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-3-carbonitrile
CID 103469460
5-amino-6-(4-bromo-3-fluorophenoxy)pyridine-3-carbonitrile
CID 103469739
2-amino-3-[3-(dimethylamino)phenoxy]benzonitrile
CID 104717231
5-amino-6-(2-tert-butylphenoxy)pyridine-3-carbonitrile
CID 68530043
5-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
CID 103469823
3-[3-(dimethylamino)phenoxy]-5-fluorobenzonitrile
CID 102818047
4-[(3-amino-5-methyl-2-pyridinyl)oxy]benzonitrile
CID 66280001

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carbonitrile (CID 103469680) is 5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carbonitrile is CN(C)c1cccc(Oc2ncc(C#N)cc2N)c1.
What is the InChIKey of 5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carbonitrile?
The InChIKey is WMQBSVJAQKAKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-18(2)11-4-3-5-12(7-11)19-14-13(16)6-10(8-15)9-17-14/h3-7,9H,16H2,1-2H3.
What are the key properties of 5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carbonitrile?
5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 103469680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).