6-(4-aminophenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile

C19H15N3O2 — CID 19656714

IUPAC6-(4-aminophenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccc(N)cc3)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C19H15N3O2/c1-24-15-8-4-12(5-9-15)16-10-18(22-19(23)17(16)11-20)13-2-6-14(21)7-3-13/h2-10H,21H2,1H3,(H,22,23)
InChIKeyHOKMRUMMRCNQFY-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.17
Rot. Bonds3

About 6-(4-aminophenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile

6-(4-aminophenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 19656714) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 6-(4-aminophenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-aminophenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID19656714
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name6-(4-aminophenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccc(N)cc3)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C19H15N3O2/c1-24-15-8-4-12(5-9-15)16-10-18(22-19(23)17(16)11-20)13-2-6-14(21)7-3-13/h2-10H,21H2,1H3,(H,22,23)
InChIKeyHOKMRUMMRCNQFY-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
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 6-(4-aminophenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(4-aminophenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 19656714) is 6-(4-aminophenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-aminophenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-aminophenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile is COc1ccc(-c2cc(-c3ccc(N)cc3)[nH]c(=O)c2C#N)cc1.
What is the InChIKey of 6-(4-aminophenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is HOKMRUMMRCNQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-24-15-8-4-12(5-9-15)16-10-18(22-19(23)17(16)11-20)13-2-6-14(21)7-3-13/h2-10H,21H2,1H3,(H,22,23).
What are the key properties of 6-(4-aminophenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
6-(4-aminophenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 317.35 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminophenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 19656714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).