6-(2,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile

C21H18N2O4 — CID 155813619

IUPAC6-(2,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3cc(OC)ccc3OC)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C21H18N2O4/c1-25-14-6-4-13(5-7-14)16-11-19(23-21(24)18(16)12-22)17-10-15(26-2)8-9-20(17)27-3/h4-11H,1-3H3,(H,23,24)
InChIKeyDPENTYRNSZVTRA-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.61
Rot. Bonds5

About 6-(2,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile

6-(2,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 155813619) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 6-(2,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID155813619
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name6-(2,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3cc(OC)ccc3OC)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C21H18N2O4/c1-25-14-6-4-13(5-7-14)16-11-19(23-21(24)18(16)12-22)17-10-15(26-2)8-9-20(17)27-3/h4-11H,1-3H3,(H,23,24)
InChIKeyDPENTYRNSZVTRA-UHFFFAOYSA-N
XLogP3.61
TPSA84.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-Methoxyphenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
CID 2767147
6-(4-Methoxyphenyl)-4-oxo-9-oxa-3-azatricyclo[8.4.0.0^{2,7}]tetradeca-1(10),2(7),5,11,13-pentaene-5-carbonitrile
CID 848933
2-Hydroxy-6-(3-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile
CID 1472841
8-Methoxy-1-(3-methoxyphenyl)-3-oxo-3,4,5,6-tetrahydrobenzo[f]quinoline-2-carbonitrile
CID 2737981
6-(2-Hydroxyphenyl)-4-(2-methoxyphenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
CID 10313795
4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 10360369
4-(2,4-dimethoxyphenyl)-6-(2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 10405448
N-[4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]phenyl]acetamide
CID 118725941
4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethoxyphenyl)-1H-pyridin-2-one
CID 155527790
2-(3-Methoxyphenyl)-4-(4-methylphenyl)-6-oxo-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile
CID 122362688
4-(4-Methoxyphenyl)-2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile
CID 331769
2-Hydroxy-6-(2-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile
CID 1472847

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(2,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 155813619) is 6-(2,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(2,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile is COc1ccc(-c2cc(-c3cc(OC)ccc3OC)[nH]c(=O)c2C#N)cc1.
What is the InChIKey of 6-(2,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is DPENTYRNSZVTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-25-14-6-4-13(5-7-14)16-11-19(23-21(24)18(16)12-22)17-10-15(26-2)8-9-20(17)27-3/h4-11H,1-3H3,(H,23,24).
What are the key properties of 6-(2,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
6-(2,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 362.39 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 155813619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).