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

C16H14N2O2 — CID 168587001

IUPAC6-methyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc3c(c2)CC(C)O3)c(C#N)c(=O)[nH]1
InChIInChI=1S/C16H14N2O2/c1-9-5-13(14(8-17)16(19)18-9)11-3-4-15-12(7-11)6-10(2)20-15/h3-5,7,10H,6H2,1-2H3,(H,18,19)
InChIKeyZGOSPJOZKCXDTJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.55
Rot. Bonds1

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

6-methyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168587001) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-methyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168587001
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name6-methyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc3c(c2)CC(C)O3)c(C#N)c(=O)[nH]1
InChIInChI=1S/C16H14N2O2/c1-9-5-13(14(8-17)16(19)18-9)11-3-4-15-12(7-11)6-10(2)20-15/h3-5,7,10H,6H2,1-2H3,(H,18,19)
InChIKeyZGOSPJOZKCXDTJ-UHFFFAOYSA-N
XLogP2.55
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585742
4-(4-bromophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 947694
4-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587298
4-(4-cyclohexylsulfanylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586224
4-(3-cyanophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584520
4-(4-bromo-3-chlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587197
4-(6-methoxynaphthalen-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585110
4-(3-ethoxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584806
4-[3-(3-hydroxyphenyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584648
4-[4-(5-cyano-2-pyridinyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585620
4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-iodobenzoic acid
CID 168585426
4-(4-hydroxy-3,5-dimethylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585362

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxo-1H-pyridine-3-carbonitrile (CID 168587001) is 6-methyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2ccc3c(c2)CC(C)O3)c(C#N)c(=O)[nH]1.
What is the InChIKey of 6-methyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is ZGOSPJOZKCXDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-9-5-13(14(8-17)16(19)18-9)11-3-4-15-12(7-11)6-10(2)20-15/h3-5,7,10H,6H2,1-2H3,(H,18,19).
What are the key properties of 6-methyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxo-1H-pyridine-3-carbonitrile?
6-methyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 266.30 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168587001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).