1-(2-ethoxyphenyl)-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carbonitrile

C22H18N2O5 — CID 2369250

IUPAC1-(2-ethoxyphenyl)-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carbonitrile
SMILESCCOc1ccccc1-n1cc(C(=O)c2cc(OC)ccc2O)cc(C#N)c1=O
InChIInChI=1S/C22H18N2O5/c1-3-29-20-7-5-4-6-18(20)24-13-15(10-14(12-23)22(24)27)21(26)17-11-16(28-2)8-9-19(17)25/h4-11,13,25H,3H2,1-2H3
InChIKeyIHXCDHWLSGSAQG-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.05
Rot. Bonds6

About 1-(2-ethoxyphenyl)-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carbonitrile

1-(2-ethoxyphenyl)-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carbonitrile (PubChem CID 2369250) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carbonitrile
PubChem CID2369250
Molecular FormulaC22H18N2O5
Molecular Weight390.40 g/mol
Exact Mass390.12
IUPAC Name1-(2-ethoxyphenyl)-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carbonitrile
SMILESCCOc1ccccc1-n1cc(C(=O)c2cc(OC)ccc2O)cc(C#N)c1=O
InChIInChI=1S/C22H18N2O5/c1-3-29-20-7-5-4-6-18(20)24-13-15(10-14(12-23)22(24)27)21(26)17-11-16(28-2)8-9-19(17)25/h4-11,13,25H,3H2,1-2H3
InChIKeyIHXCDHWLSGSAQG-UHFFFAOYSA-N
XLogP3.05
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 2368060
5-(5-chloro-2-hydroxybenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 2367263
5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-1-(4-phenoxyphenyl)pyridine-3-carbonitrile
CID 3613028
5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-1-(1,3-thiazol-3-ium-2-yl)pyridine-3-carbonitrile
CID 7815955
3-acetyl-5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)pyridin-2-one
CID 17475128
(2-ethoxyphenyl)-(3-methoxyphenyl)methanone
CID 62802553
5-(5-methoxy-2-phenylmethoxybenzoyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile
CID 29432740
(2-hydroxy-5-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 12761367
5-(5-bromo-2-hydroxybenzoyl)-1-(1-methoxypropan-2-yl)-2-oxopyridine-3-carbonitrile
CID 22109223
5-(5-chloro-2-hydroxybenzoyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxopyridine-3-carbonitrile
CID 2378028
5-(5-bromo-2-hydroxybenzoyl)-2-oxo-1-(1,3-thiazol-2-yl)pyridine-3-carbonitrile
CID 2378025
(2-hydroxy-5-methoxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
CID 139707986

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(2-ethoxyphenyl)-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carbonitrile (CID 2369250) is 1-(2-ethoxyphenyl)-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(2-ethoxyphenyl)-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(2-ethoxyphenyl)-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carbonitrile is CCOc1ccccc1-n1cc(C(=O)c2cc(OC)ccc2O)cc(C#N)c1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is IHXCDHWLSGSAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O5/c1-3-29-20-7-5-4-6-18(20)24-13-15(10-14(12-23)22(24)27)21(26)17-11-16(28-2)8-9-19(17)25/h4-11,13,25H,3H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carbonitrile?
1-(2-ethoxyphenyl)-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 390.40 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 2369250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).