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

C18H13N3O2 — CID 11493199

IUPAC4-(4-methoxyphenyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccncc3)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C18H13N3O2/c1-23-14-4-2-12(3-5-14)15-10-17(13-6-8-20-9-7-13)21-18(22)16(15)11-19/h2-10H,1H3,(H,21,22)
InChIKeyOLALBCMHRPATLC-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.98
Rot. Bonds3

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

4-(4-methoxyphenyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonitrile (PubChem CID 11493199) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonitrile
PubChem CID11493199
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name4-(4-methoxyphenyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccncc3)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C18H13N3O2/c1-23-14-4-2-12(3-5-14)15-10-17(13-6-8-20-9-7-13)21-18(22)16(15)11-19/h2-10H,1H3,(H,21,22)
InChIKeyOLALBCMHRPATLC-UHFFFAOYSA-N
XLogP2.98
TPSA78.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(4-methoxyphenyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonitrile (CID 11493199) is 4-(4-methoxyphenyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-methoxyphenyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonitrile is COc1ccc(-c2cc(-c3ccncc3)[nH]c(=O)c2C#N)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonitrile?
The InChIKey is OLALBCMHRPATLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c1-23-14-4-2-12(3-5-14)15-10-17(13-6-8-20-9-7-13)21-18(22)16(15)11-19/h2-10H,1H3,(H,21,22).
What are the key properties of 4-(4-methoxyphenyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonitrile?
4-(4-methoxyphenyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonitrile has a molecular weight of 303.32 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 11493199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).