N-[3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-(2-methoxyphenoxy)acetamide

C23H22N4O3 — CID 133396942

IUPACN-[3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1cccc(Nc2cc(C)nc(C)c2C#N)c1
InChIInChI=1S/C23H22N4O3/c1-15-11-20(19(13-24)16(2)25-15)26-17-7-6-8-18(12-17)27-23(28)14-30-22-10-5-4-9-21(22)29-3/h4-12H,14H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyNIBMDAINAOABCW-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.34
Rot. Bonds7

About N-[3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-(2-methoxyphenoxy)acetamide

N-[3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 133396942) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID133396942
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC NameN-[3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1cccc(Nc2cc(C)nc(C)c2C#N)c1
InChIInChI=1S/C23H22N4O3/c1-15-11-20(19(13-24)16(2)25-15)26-17-7-6-8-18(12-17)27-23(28)14-30-22-10-5-4-9-21(22)29-3/h4-12H,14H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyNIBMDAINAOABCW-UHFFFAOYSA-N
XLogP4.34
TPSA96.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-(2-methoxyphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060534
N-[5-(3-cyanoanilino)-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113037188
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-(4-methylphenyl)propanamide
CID 60535941
[2-(3-cyanoanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854141
2-(2-methoxyphenoxy)-N-[6-(3-methylanilino)pyridazin-3-yl]acetamide
CID 113045737
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55865297
2,5-dimethoxy-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]benzamide
CID 55886827
2-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]-N-(2,4-difluorophenyl)acetamide
CID 75431421
N-(2-cyanophenyl)-2-(2-methoxyphenoxy)acetamide
CID 922260
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]propanamide
CID 55886579
N-(3-cyanophenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 2578049
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4797644

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-(2-methoxyphenoxy)acetamide (CID 133396942) is N-[3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)Nc1cccc(Nc2cc(C)nc(C)c2C#N)c1.
What is the InChIKey of N-[3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is NIBMDAINAOABCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-15-11-20(19(13-24)16(2)25-15)26-17-7-6-8-18(12-17)27-23(28)14-30-22-10-5-4-9-21(22)29-3/h4-12H,14H2,1-3H3,(H,25,26)(H,27,28).
What are the key properties of N-[3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-(2-methoxyphenoxy)acetamide?
N-[3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 402.45 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 133396942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).