1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile

C15H15N3O2 — CID 82146449

IUPAC1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
SMILESCOc1ccc(-c2ccc(C#N)c(=O)n2CCN)cc1
InChIInChI=1S/C15H15N3O2/c1-20-13-5-2-11(3-6-13)14-7-4-12(10-17)15(19)18(14)9-8-16/h2-7H,8-9,16H2,1H3
InChIKeySVESEWCDVORXBE-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.35
Rot. Bonds4

About 1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile

1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile (PubChem CID 82146449) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
PubChem CID82146449
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
SMILESCOc1ccc(-c2ccc(C#N)c(=O)n2CCN)cc1
InChIInChI=1S/C15H15N3O2/c1-20-13-5-2-11(3-6-13)14-7-4-12(10-17)15(19)18(14)9-8-16/h2-7H,8-9,16H2,1H3
InChIKeySVESEWCDVORXBE-UHFFFAOYSA-N
XLogP1.35
TPSA81.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-cyano-6-(4-methoxyphenyl)-2-oxo-1-pyridinyl]acetic acid
CID 82099283
6-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 2765304
1-[2-(2-aminoethoxy)ethyl]-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 94751078
6-(4-chlorophenyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile
CID 82519215
1-(4-aminobutyl)-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
CID 82146528
1-butyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carbonitrile
CID 82517769
6-(4-ethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile
CID 82520500
1-(2-hydroxyethyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82147126
6-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile
CID 82099318
1-(3-aminopropyl)-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile
CID 82146491
6-(4-fluorophenyl)-2-oxo-1-propylpyridine-3-carbonitrile
CID 82099180
1-(3-cyanopropyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82147729

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile (CID 82146449) is 1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile is COc1ccc(-c2ccc(C#N)c(=O)n2CCN)cc1.
What is the InChIKey of 1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is SVESEWCDVORXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-20-13-5-2-11(3-6-13)14-7-4-12(10-17)15(19)18(14)9-8-16/h2-7H,8-9,16H2,1H3.
What are the key properties of 1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile?
1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 269.30 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82146449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).