N-(3-chloro-4-methoxyphenyl)-2-[2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenoxy]acetamide

C25H22ClN3O6 — CID 2495032

IUPACN-(3-chloro-4-methoxyphenyl)-2-[2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenoxy]acetamide
SMILESCOCCn1cc(C(=O)c2ccccc2OCC(=O)Nc2ccc(OC)c(Cl)c2)cc(C#N)c1=O
InChIInChI=1S/C25H22ClN3O6/c1-33-10-9-29-14-17(11-16(13-27)25(29)32)24(31)19-5-3-4-6-21(19)35-15-23(30)28-18-7-8-22(34-2)20(26)12-18/h3-8,11-12,14H,9-10,15H2,1-2H3,(H,28,30)
InChIKeyGDNGNWJJGLMQOK-UHFFFAOYSA-N
MW495.92 g/mol
LogP3.28
Rot. Bonds10

About N-(3-chloro-4-methoxyphenyl)-2-[2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenoxy]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenoxy]acetamide (PubChem CID 2495032) has the molecular formula C25H22ClN3O6 and a molecular weight of 495.92 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenoxy]acetamide
PubChem CID2495032
Molecular FormulaC25H22ClN3O6
Molecular Weight495.92 g/mol
Exact Mass495.12
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenoxy]acetamide
SMILESCOCCn1cc(C(=O)c2ccccc2OCC(=O)Nc2ccc(OC)c(Cl)c2)cc(C#N)c1=O
InChIInChI=1S/C25H22ClN3O6/c1-33-10-9-29-14-17(11-16(13-27)25(29)32)24(31)19-5-3-4-6-21(19)35-15-23(30)28-18-7-8-22(34-2)20(26)12-18/h3-8,11-12,14H,9-10,15H2,1-2H3,(H,28,30)
InChIKeyGDNGNWJJGLMQOK-UHFFFAOYSA-N
XLogP3.28
TPSA119.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.92
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 2483657
2-[2-(5-cyano-6-oxo-1-propan-2-ylpyridine-3-carbonyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide
CID 2396008
N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 2712886
N-(3-chloro-4-methoxyphenyl)-2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide
CID 52900780
N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355423
2-[2-(azepane-1-carbonyl)phenoxy]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 17466964
N-(3-chloro-4-methoxyphenyl)-2-(2-ethylphenoxy)acetamide
CID 2709417
[2-(ethylamino)-2-oxoethyl] 2-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]benzoate
CID 2705826
2-[2-(3-chloro-4-cyanoanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 25491912
N-(3-chloro-4-methoxyphenyl)-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
CID 122175567
N-(3-chloro-4-methoxyphenyl)-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 33398940
2-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 41084044

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenoxy]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenoxy]acetamide (CID 2495032) is N-(3-chloro-4-methoxyphenyl)-2-[2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenoxy]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenoxy]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenoxy]acetamide is COCCn1cc(C(=O)c2ccccc2OCC(=O)Nc2ccc(OC)c(Cl)c2)cc(C#N)c1=O.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenoxy]acetamide?
The InChIKey is GDNGNWJJGLMQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O6/c1-33-10-9-29-14-17(11-16(13-27)25(29)32)24(31)19-5-3-4-6-21(19)35-15-23(30)28-18-7-8-22(34-2)20(26)12-18/h3-8,11-12,14H,9-10,15H2,1-2H3,(H,28,30).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenoxy]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenoxy]acetamide has a molecular weight of 495.92 g/mol, XLogP of 3.28, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenoxy]acetamide is sourced from PubChem (CID 2495032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).