1-[2-(2-aminoethoxy)ethyl]-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile

C17H19N3O3 — CID 94751078

IUPAC1-[2-(2-aminoethoxy)ethyl]-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
SMILESCOc1cccc(-c2ccc(C#N)c(=O)n2CCOCCN)c1
InChIInChI=1S/C17H19N3O3/c1-22-15-4-2-3-13(11-15)16-6-5-14(12-19)17(21)20(16)8-10-23-9-7-18/h2-6,11H,7-10,18H2,1H3
InChIKeyABWLUFFEJNFZHQ-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.37
Rot. Bonds7

About 1-[2-(2-aminoethoxy)ethyl]-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile

1-[2-(2-aminoethoxy)ethyl]-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile (PubChem CID 94751078) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-[2-(2-aminoethoxy)ethyl]-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[2-(2-aminoethoxy)ethyl]-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
PubChem CID94751078
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name1-[2-(2-aminoethoxy)ethyl]-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
SMILESCOc1cccc(-c2ccc(C#N)c(=O)n2CCOCCN)c1
InChIInChI=1S/C17H19N3O3/c1-22-15-4-2-3-13(11-15)16-6-5-14(12-19)17(21)20(16)8-10-23-9-7-18/h2-6,11H,7-10,18H2,1H3
InChIKeyABWLUFFEJNFZHQ-UHFFFAOYSA-N
XLogP1.37
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxyethyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82147126
1-(3-cyanopropyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82147729
1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82146449
2-oxo-6-(3-propoxyphenyl)-1-propylpyridine-3-carbonitrile
CID 82518204
1-(1-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82146801
6-(3-methoxyphenyl)-2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile
CID 82147185
1-ethyl-2-oxo-6-(3-propoxyphenyl)pyridine-3-carbonitrile
CID 82518218
6-(3-ethoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
CID 82518322
1-(3-aminopropyl)-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile
CID 82146491
3-(aminomethyl)-6-(3-methoxyphenyl)-1-pentylpyridin-2-one
CID 82518457
2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile
CID 82518561
3-(aminomethyl)-6-(3-methoxyphenyl)-1-methylpyridin-2-one
CID 82189410

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethoxy)ethyl]-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[2-(2-aminoethoxy)ethyl]-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile (CID 94751078) is 1-[2-(2-aminoethoxy)ethyl]-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[2-(2-aminoethoxy)ethyl]-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[2-(2-aminoethoxy)ethyl]-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile is COc1cccc(-c2ccc(C#N)c(=O)n2CCOCCN)c1.
What is the InChIKey of 1-[2-(2-aminoethoxy)ethyl]-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is ABWLUFFEJNFZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-22-15-4-2-3-13(11-15)16-6-5-14(12-19)17(21)20(16)8-10-23-9-7-18/h2-6,11H,7-10,18H2,1H3.
What are the key properties of 1-[2-(2-aminoethoxy)ethyl]-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile?
1-[2-(2-aminoethoxy)ethyl]-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 313.36 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethoxy)ethyl]-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 94751078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).