6-hydroxy-1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile

C25H24N2O5 — CID 19118635

IUPAC6-hydroxy-1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile
SMILESCCCOc1ccccc1C(=O)c1c(C)c(C#N)c(=O)n(Cc2ccc(OC)cc2)c1O
InChIInChI=1S/C25H24N2O5/c1-4-13-32-21-8-6-5-7-19(21)23(28)22-16(2)20(14-26)24(29)27(25(22)30)15-17-9-11-18(31-3)12-10-17/h5-12,30H,4,13,15H2,1-3H3
InChIKeyXJIKOOPRWCJTSD-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.81
Rot. Bonds8

About 6-hydroxy-1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile

6-hydroxy-1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile (PubChem CID 19118635) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is 6-hydroxy-1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile
PubChem CID19118635
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name6-hydroxy-1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile
SMILESCCCOc1ccccc1C(=O)c1c(C)c(C#N)c(=O)n(Cc2ccc(OC)cc2)c1O
InChIInChI=1S/C25H24N2O5/c1-4-13-32-21-8-6-5-7-19(21)23(28)22-16(2)20(14-26)24(29)27(25(22)30)15-17-9-11-18(31-3)12-10-17/h5-12,30H,4,13,15H2,1-3H3
InChIKeyXJIKOOPRWCJTSD-UHFFFAOYSA-N
XLogP3.81
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile
CID 19117832
6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)-1-propylpyridine-3-carbonitrile
CID 19115289
1-benzyl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116759
1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(2-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 19117747
1-benzyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116765
6-hydroxy-1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-5-pentanoylpyridine-3-carbonitrile
CID 19118617
1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile
CID 19116226
1-[(2-chlorophenyl)methyl]-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19118500
5-(3-butoxybenzoyl)-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 19118085
1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[2-(2-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 19117760
6-hydroxy-4-methyl-2-oxo-5-(4-propoxybenzoyl)-1-propylpyridine-3-carbonitrile
CID 19115244
5-(4-butoxy-3,5-dichlorobenzoyl)-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 19118111

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile (CID 19118635) is 6-hydroxy-1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile is CCCOc1ccccc1C(=O)c1c(C)c(C#N)c(=O)n(Cc2ccc(OC)cc2)c1O.
What is the InChIKey of 6-hydroxy-1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile?
The InChIKey is XJIKOOPRWCJTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-4-13-32-21-8-6-5-7-19(21)23(28)22-16(2)20(14-26)24(29)27(25(22)30)15-17-9-11-18(31-3)12-10-17/h5-12,30H,4,13,15H2,1-3H3.
What are the key properties of 6-hydroxy-1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile?
6-hydroxy-1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile has a molecular weight of 432.48 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile is sourced from PubChem (CID 19118635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).