2-[3-cyano-2-oxo-6-(4-propan-2-ylphenyl)-1-pyridinyl]acetamide

C17H17N3O2 — CID 82099124

IUPAC2-[3-cyano-2-oxo-6-(4-propan-2-ylphenyl)-1-pyridinyl]acetamide
SMILESCC(C)c1ccc(-c2ccc(C#N)c(=O)n2CC(N)=O)cc1
InChIInChI=1S/C17H17N3O2/c1-11(2)12-3-5-13(6-4-12)15-8-7-14(9-18)17(22)20(15)10-16(19)21/h3-8,11H,10H2,1-2H3,(H2,19,21)
InChIKeyLJPLDSVWFQHMFQ-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.00
Rot. Bonds4

About 2-[3-cyano-2-oxo-6-(4-propan-2-ylphenyl)-1-pyridinyl]acetamide

2-[3-cyano-2-oxo-6-(4-propan-2-ylphenyl)-1-pyridinyl]acetamide (PubChem CID 82099124) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[3-cyano-2-oxo-6-(4-propan-2-ylphenyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[3-cyano-2-oxo-6-(4-propan-2-ylphenyl)-1-pyridinyl]acetamide
PubChem CID82099124
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-[3-cyano-2-oxo-6-(4-propan-2-ylphenyl)-1-pyridinyl]acetamide
SMILESCC(C)c1ccc(-c2ccc(C#N)c(=O)n2CC(N)=O)cc1
InChIInChI=1S/C17H17N3O2/c1-11(2)12-3-5-13(6-4-12)15-8-7-14(9-18)17(22)20(15)10-16(19)21/h3-8,11H,10H2,1-2H3,(H2,19,21)
InChIKeyLJPLDSVWFQHMFQ-UHFFFAOYSA-N
XLogP2.00
TPSA88.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 2-(3-cyano-2-oxo-6-phenyl-1-pyridinyl)acetate
CID 82099014
6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 82099160
2-[3-cyano-6-(4-methoxyphenyl)-2-oxo-1-pyridinyl]acetic acid
CID 82099283
6-(4-methylphenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 82099063
3-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]propanoic acid
CID 82099191
6-(4-chlorophenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile
CID 82099168
6-(4-tert-butylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile
CID 82099274
1-(4-aminobutyl)-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
CID 82146528
1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82146449
2-methylpropyl 2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)acetate
CID 82099566
6-(4-chlorophenyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile
CID 82519215
3-(1-aminoethyl)-1-ethyl-6-(4-propan-2-ylphenyl)pyridin-2-one
CID 82520425

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyano-2-oxo-6-(4-propan-2-ylphenyl)-1-pyridinyl]acetamide?
The IUPAC name of 2-[3-cyano-2-oxo-6-(4-propan-2-ylphenyl)-1-pyridinyl]acetamide (CID 82099124) is 2-[3-cyano-2-oxo-6-(4-propan-2-ylphenyl)-1-pyridinyl]acetamide.
What is the SMILES notation for 2-[3-cyano-2-oxo-6-(4-propan-2-ylphenyl)-1-pyridinyl]acetamide?
The canonical SMILES for 2-[3-cyano-2-oxo-6-(4-propan-2-ylphenyl)-1-pyridinyl]acetamide is CC(C)c1ccc(-c2ccc(C#N)c(=O)n2CC(N)=O)cc1.
What is the InChIKey of 2-[3-cyano-2-oxo-6-(4-propan-2-ylphenyl)-1-pyridinyl]acetamide?
The InChIKey is LJPLDSVWFQHMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11(2)12-3-5-13(6-4-12)15-8-7-14(9-18)17(22)20(15)10-16(19)21/h3-8,11H,10H2,1-2H3,(H2,19,21).
What are the key properties of 2-[3-cyano-2-oxo-6-(4-propan-2-ylphenyl)-1-pyridinyl]acetamide?
2-[3-cyano-2-oxo-6-(4-propan-2-ylphenyl)-1-pyridinyl]acetamide has a molecular weight of 295.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyano-2-oxo-6-(4-propan-2-ylphenyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 82099124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).