4-[2-(cyclopropylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C17H16N2O2 — CID 168585130

IUPAC4-[2-(cyclopropylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccccc2OCC2CC2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C17H16N2O2/c1-11-8-14(15(9-18)17(20)19-11)13-4-2-3-5-16(13)21-10-12-6-7-12/h2-5,8,12H,6-7,10H2,1H3,(H,19,20)
InChIKeyFVWPTBBNBXZHTK-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.01
Rot. Bonds4

About 4-[2-(cyclopropylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-[2-(cyclopropylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168585130) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-[2-(cyclopropylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[2-(cyclopropylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168585130
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4-[2-(cyclopropylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccccc2OCC2CC2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C17H16N2O2/c1-11-8-14(15(9-18)17(20)19-11)13-4-2-3-5-16(13)21-10-12-6-7-12/h2-5,8,12H,6-7,10H2,1H3,(H,19,20)
InChIKeyFVWPTBBNBXZHTK-UHFFFAOYSA-N
XLogP3.01
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-cyclopentyloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587268
6-methyl-4-[2-[3-(3-methylpiperidin-1-yl)propoxy]phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168586706
6-methyl-4-[2-[(4-nitrophenyl)methoxy]phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168586968
2-[2-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-phenylacetamide
CID 168586245
6-methyl-4-[2-(4-methylphenoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168585987
2-[2-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-(4-methylphenyl)acetamide
CID 168586244
6-methyl-2-oxo-4-[2-(2-propan-2-ylphenoxy)phenyl]-1H-pyridine-3-carbonitrile
CID 168585556
4-(2-ethoxyphenyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656984
4-[3-(cyclopropylmethoxymethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584786
4-[2-[(dimethylamino)methyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586524
4-[2-(1,3-dioxan-2-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587211
4-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585248

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-[2-(cyclopropylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168585130) is 4-[2-(cyclopropylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-[2-(cyclopropylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-[2-(cyclopropylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2ccccc2OCC2CC2)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-[2-(cyclopropylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is FVWPTBBNBXZHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-8-14(15(9-18)17(20)19-11)13-4-2-3-5-16(13)21-10-12-6-7-12/h2-5,8,12H,6-7,10H2,1H3,(H,19,20).
What are the key properties of 4-[2-(cyclopropylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-[2-(cyclopropylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 280.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168585130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).