propan-2-yl 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]acetate

C19H20N2O5 — CID 168586158

IUPACpropan-2-yl 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]acetate
SMILESCOc1cc(-c2cc(C)[nH]c(=O)c2C#N)ccc1OCC(=O)OC(C)C
InChIInChI=1S/C19H20N2O5/c1-11(2)26-18(22)10-25-16-6-5-13(8-17(16)24-4)14-7-12(3)21-19(23)15(14)9-20/h5-8,11H,10H2,1-4H3,(H,21,23)
InChIKeyPCICOTMXEWVKIU-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.56
Rot. Bonds6

About propan-2-yl 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]acetate

propan-2-yl 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]acetate (PubChem CID 168586158) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is propan-2-yl 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]acetate
PubChem CID168586158
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Namepropan-2-yl 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]acetate
SMILESCOc1cc(-c2cc(C)[nH]c(=O)c2C#N)ccc1OCC(=O)OC(C)C
InChIInChI=1S/C19H20N2O5/c1-11(2)26-18(22)10-25-16-6-5-13(8-17(16)24-4)14-7-12(3)21-19(23)15(14)9-20/h5-8,11H,10H2,1-4H3,(H,21,23)
InChIKeyPCICOTMXEWVKIU-UHFFFAOYSA-N
XLogP2.56
TPSA101.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze propan-2-yl 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]acetate with MolForge

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Related Compounds

2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]acetic acid
CID 168587366
4-(4-ethoxy-3-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 82639427
4-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586646
[5-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenyl]boronic acid
CID 168584762
4-(3-butoxy-4-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585115
4-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586713
4-[4-[(5-formyl-2-methoxyphenyl)methoxy]-3-methoxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586229
2-[2-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide
CID 168586865
4-(4-methoxy-3-phenylmethoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584640
[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenyl] 4-chlorobenzoate
CID 168586606
4-[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585785
2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(4-ethoxyphenyl)acetamide
CID 168586168

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]acetate?
The IUPAC name of propan-2-yl 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]acetate (CID 168586158) is propan-2-yl 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]acetate.
What is the SMILES notation for propan-2-yl 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]acetate?
The canonical SMILES for propan-2-yl 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]acetate is COc1cc(-c2cc(C)[nH]c(=O)c2C#N)ccc1OCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]acetate?
The InChIKey is PCICOTMXEWVKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-11(2)26-18(22)10-25-16-6-5-13(8-17(16)24-4)14-7-12(3)21-19(23)15(14)9-20/h5-8,11H,10H2,1-4H3,(H,21,23).
What are the key properties of propan-2-yl 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]acetate?
propan-2-yl 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]acetate has a molecular weight of 356.38 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]acetate is sourced from PubChem (CID 168586158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).