4-[2-(1,3-dioxan-2-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C17H16N2O3 — CID 168587211

IUPAC4-[2-(1,3-dioxan-2-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccccc2C2OCCCO2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C17H16N2O3/c1-11-9-14(15(10-18)16(20)19-11)12-5-2-3-6-13(12)17-21-7-4-8-22-17/h2-3,5-6,9,17H,4,7-8H2,1H3,(H,19,20)
InChIKeyBVOZDDZMNCYDPP-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.66
Rot. Bonds2

About 4-[2-(1,3-dioxan-2-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-[2-(1,3-dioxan-2-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168587211) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-[2-(1,3-dioxan-2-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[2-(1,3-dioxan-2-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168587211
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name4-[2-(1,3-dioxan-2-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccccc2C2OCCCO2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C17H16N2O3/c1-11-9-14(15(10-18)16(20)19-11)12-5-2-3-6-13(12)17-21-7-4-8-22-17/h2-3,5-6,9,17H,4,7-8H2,1H3,(H,19,20)
InChIKeyBVOZDDZMNCYDPP-UHFFFAOYSA-N
XLogP2.66
TPSA75.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-[2-(4-methylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168584676
4-(2-cyclopentyloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587268
4-[2-(cyclopropylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585130
6-methyl-2-oxo-4-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carbonitrile
CID 168585718
4-[2-[(dimethylamino)methyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586524
6-methyl-4-[2-(5-methylfuran-2-yl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168587408
6-methyl-2-oxo-4-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 168585449
4-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585248
6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 168584507
4-[2-(difluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585529
6-methyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1H-pyridine-3-carbonitrile
CID 168586982
4-[2-(2,2-difluoroethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585452

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-dioxan-2-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-[2-(1,3-dioxan-2-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168587211) is 4-[2-(1,3-dioxan-2-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-[2-(1,3-dioxan-2-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-[2-(1,3-dioxan-2-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2ccccc2C2OCCCO2)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-[2-(1,3-dioxan-2-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is BVOZDDZMNCYDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-11-9-14(15(10-18)16(20)19-11)12-5-2-3-6-13(12)17-21-7-4-8-22-17/h2-3,5-6,9,17H,4,7-8H2,1H3,(H,19,20).
What are the key properties of 4-[2-(1,3-dioxan-2-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-[2-(1,3-dioxan-2-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 296.33 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-dioxan-2-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168587211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).