4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C17H16N2O2 — CID 168587349

IUPAC4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1cc2c(cc1-c1cc(C)[nH]c(=O)c1C#N)CCC2
InChIInChI=1S/C17H16N2O2/c1-10-6-13(15(9-18)17(20)19-10)14-7-11-4-3-5-12(11)8-16(14)21-2/h6-8H,3-5H2,1-2H3,(H,19,20)
InChIKeyLMRCNFOUWWCVNV-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.72
Rot. Bonds2

About 4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168587349) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168587349
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1cc2c(cc1-c1cc(C)[nH]c(=O)c1C#N)CCC2
InChIInChI=1S/C17H16N2O2/c1-10-6-13(15(9-18)17(20)19-10)14-7-11-4-3-5-12(11)8-16(14)21-2/h6-8H,3-5H2,1-2H3,(H,19,20)
InChIKeyLMRCNFOUWWCVNV-UHFFFAOYSA-N
XLogP2.72
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-tert-butyl-2-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585799
[5-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenyl]boronic acid
CID 168584762
4-(2-cyclopentyloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587268
4-(4-ethoxy-3-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 82639427
4-(3-fluoro-2-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585469
4-[2-(3-methoxyphenyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584675
4-(5-chloro-2-propan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587062
methyl 3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-5-methoxybenzoate
CID 168586451
4-(6-methoxynaphthalen-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585110
4-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586713
4-[6-(4-methoxyphenyl)-1,3-benzodioxol-5-yl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585647
4-(3-butoxy-4-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585115

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168587349) is 4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is COc1cc2c(cc1-c1cc(C)[nH]c(=O)c1C#N)CCC2.
What is the InChIKey of 4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is LMRCNFOUWWCVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-10-6-13(15(9-18)17(20)19-10)14-7-11-4-3-5-12(11)8-16(14)21-2/h6-8H,3-5H2,1-2H3,(H,19,20).
What are the key properties of 4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 280.33 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168587349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).