4-(4-ethoxyphenyl)-1,5-dimethyl-2-oxopyridine-3-carbonitrile

C16H16N2O2 — CID 82123363

IUPAC4-(4-ethoxyphenyl)-1,5-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCCOc1ccc(-c2c(C)cn(C)c(=O)c2C#N)cc1
InChIInChI=1S/C16H16N2O2/c1-4-20-13-7-5-12(6-8-13)15-11(2)10-18(3)16(19)14(15)9-17/h5-8,10H,4H2,1-3H3
InChIKeyKEFIODHYXFIAIL-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.63
Rot. Bonds3

About 4-(4-ethoxyphenyl)-1,5-dimethyl-2-oxopyridine-3-carbonitrile

4-(4-ethoxyphenyl)-1,5-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 82123363) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-1,5-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-1,5-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID82123363
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name4-(4-ethoxyphenyl)-1,5-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCCOc1ccc(-c2c(C)cn(C)c(=O)c2C#N)cc1
InChIInChI=1S/C16H16N2O2/c1-4-20-13-7-5-12(6-8-13)15-11(2)10-18(3)16(19)14(15)9-17/h5-8,10H,4H2,1-3H3
InChIKeyKEFIODHYXFIAIL-UHFFFAOYSA-N
XLogP2.63
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-ethoxyphenyl)-1,3-dimethylpyridin-2-one
CID 149000384
2-(4-ethoxyphenyl)-4-methylsulfanyl-6-oxo-1-phenylpyrimidine-5-carbonitrile
CID 69220498
2-[6-(4-ethoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]acetonitrile
CID 82517950
ethyl 1,2-diamino-5-cyano-6-oxo-4-(4-phenylmethoxyphenyl)pyridine-3-carboxylate
CID 1486818
1-[2-(4-methoxyphenoxy)ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 82124655
6-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile
CID 82099318
2-amino-4-(4-ethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 4636159
5-(4-ethoxybenzoyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115099
2-amino-4-(4-ethoxyphenyl)-6-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanylpyridine-3,5-dicarbonitrile
CID 2213614
2-amino-6-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3341395
2-butyl-6-(4-ethoxyphenyl)-3-oxopyridazine-4-carbonitrile
CID 82447187
2-amino-4-(4-ethoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile
CID 4743639

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-1,5-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 4-(4-ethoxyphenyl)-1,5-dimethyl-2-oxopyridine-3-carbonitrile (CID 82123363) is 4-(4-ethoxyphenyl)-1,5-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-ethoxyphenyl)-1,5-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 4-(4-ethoxyphenyl)-1,5-dimethyl-2-oxopyridine-3-carbonitrile is CCOc1ccc(-c2c(C)cn(C)c(=O)c2C#N)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-1,5-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is KEFIODHYXFIAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-4-20-13-7-5-12(6-8-13)15-11(2)10-18(3)16(19)14(15)9-17/h5-8,10H,4H2,1-3H3.
What are the key properties of 4-(4-ethoxyphenyl)-1,5-dimethyl-2-oxopyridine-3-carbonitrile?
4-(4-ethoxyphenyl)-1,5-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-1,5-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82123363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).