1-(1-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile

C16H17N3O2 — CID 82146801

IUPAC1-(1-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
SMILESCOc1cccc(-c2ccc(C#N)c(=O)n2C(C)CN)c1
InChIInChI=1S/C16H17N3O2/c1-11(9-17)19-15(7-6-13(10-18)16(19)20)12-4-3-5-14(8-12)21-2/h3-8,11H,9,17H2,1-2H3
InChIKeyUQCWEFOMWQAPBQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.92
Rot. Bonds4

About 1-(1-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile

1-(1-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile (PubChem CID 82146801) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(1-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(1-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
PubChem CID82146801
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-(1-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
SMILESCOc1cccc(-c2ccc(C#N)c(=O)n2C(C)CN)c1
InChIInChI=1S/C16H17N3O2/c1-11(9-17)19-15(7-6-13(10-18)16(19)20)12-4-3-5-14(8-12)21-2/h3-8,11H,9,17H2,1-2H3
InChIKeyUQCWEFOMWQAPBQ-UHFFFAOYSA-N
XLogP1.92
TPSA81.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-cyanopropyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82147729
1-[2-(2-aminoethoxy)ethyl]-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 94751078
1-(2-hydroxyethyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82147126
6-(3-methoxyphenyl)-2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile
CID 82147185
3-(1-aminoethyl)-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one
CID 82518553
6-(3-ethoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
CID 82518322
3-(aminomethyl)-6-(3-methoxyphenyl)-1-methylpyridin-2-one
CID 82189410
1-ethyl-2-oxo-6-(3-propoxyphenyl)pyridine-3-carbonitrile
CID 82518218
1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
CID 82519490
3-(ethylaminomethyl)-6-(3-methoxyphenyl)-1-propan-2-ylpyridin-2-one
CID 82518544
2-oxo-6-(3-propoxyphenyl)-1-propylpyridine-3-carbonitrile
CID 82518204
1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82146449

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(1-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile (CID 82146801) is 1-(1-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(1-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(1-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile is COc1cccc(-c2ccc(C#N)c(=O)n2C(C)CN)c1.
What is the InChIKey of 1-(1-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is UQCWEFOMWQAPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11(9-17)19-15(7-6-13(10-18)16(19)20)12-4-3-5-14(8-12)21-2/h3-8,11H,9,17H2,1-2H3.
What are the key properties of 1-(1-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile?
1-(1-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 283.33 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82146801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).