2-[4-amino-2-(5-methyl-6-oxo-1H-pyridin-3-yl)phenoxy]benzonitrile

C19H15N3O2 — CID 90019753

IUPAC2-[4-amino-2-(5-methyl-6-oxo-1H-pyridin-3-yl)phenoxy]benzonitrile
SMILESCc1cc(-c2cc(N)ccc2Oc2ccccc2C#N)c[nH]c1=O
InChIInChI=1S/C19H15N3O2/c1-12-8-14(11-22-19(12)23)16-9-15(21)6-7-18(16)24-17-5-3-2-4-13(17)10-20/h2-9,11H,21H2,1H3,(H,22,23)
InChIKeyQNBFSWXUZPTENL-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.60
Rot. Bonds3

About 2-[4-amino-2-(5-methyl-6-oxo-1H-pyridin-3-yl)phenoxy]benzonitrile

2-[4-amino-2-(5-methyl-6-oxo-1H-pyridin-3-yl)phenoxy]benzonitrile (PubChem CID 90019753) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[4-amino-2-(5-methyl-6-oxo-1H-pyridin-3-yl)phenoxy]benzonitrile.

Molecular Properties

Compound Name2-[4-amino-2-(5-methyl-6-oxo-1H-pyridin-3-yl)phenoxy]benzonitrile
PubChem CID90019753
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name2-[4-amino-2-(5-methyl-6-oxo-1H-pyridin-3-yl)phenoxy]benzonitrile
SMILESCc1cc(-c2cc(N)ccc2Oc2ccccc2C#N)c[nH]c1=O
InChIInChI=1S/C19H15N3O2/c1-12-8-14(11-22-19(12)23)16-9-15(21)6-7-18(16)24-17-5-3-2-4-13(17)10-20/h2-9,11H,21H2,1H3,(H,22,23)
InChIKeyQNBFSWXUZPTENL-UHFFFAOYSA-N
XLogP3.60
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-(5-methyl-6-oxo-1H-pyridin-3-yl)phenoxy]benzonitrile?
The IUPAC name of 2-[4-amino-2-(5-methyl-6-oxo-1H-pyridin-3-yl)phenoxy]benzonitrile (CID 90019753) is 2-[4-amino-2-(5-methyl-6-oxo-1H-pyridin-3-yl)phenoxy]benzonitrile.
What is the SMILES notation for 2-[4-amino-2-(5-methyl-6-oxo-1H-pyridin-3-yl)phenoxy]benzonitrile?
The canonical SMILES for 2-[4-amino-2-(5-methyl-6-oxo-1H-pyridin-3-yl)phenoxy]benzonitrile is Cc1cc(-c2cc(N)ccc2Oc2ccccc2C#N)c[nH]c1=O.
What is the InChIKey of 2-[4-amino-2-(5-methyl-6-oxo-1H-pyridin-3-yl)phenoxy]benzonitrile?
The InChIKey is QNBFSWXUZPTENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-12-8-14(11-22-19(12)23)16-9-15(21)6-7-18(16)24-17-5-3-2-4-13(17)10-20/h2-9,11H,21H2,1H3,(H,22,23).
What are the key properties of 2-[4-amino-2-(5-methyl-6-oxo-1H-pyridin-3-yl)phenoxy]benzonitrile?
2-[4-amino-2-(5-methyl-6-oxo-1H-pyridin-3-yl)phenoxy]benzonitrile has a molecular weight of 317.35 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-(5-methyl-6-oxo-1H-pyridin-3-yl)phenoxy]benzonitrile is sourced from PubChem (CID 90019753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).