N-(6-acetamido-4-methyl-3-pyridinyl)-2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]acetamide

C24H21ClN4O3 — CID 67480996

IUPACN-(6-acetamido-4-methyl-3-pyridinyl)-2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(C)c(NC(=O)Cc2ccc(C)c(Oc3cc(Cl)cc(C#N)c3)c2)cn1
InChIInChI=1S/C24H21ClN4O3/c1-14-4-5-17(9-22(14)32-20-8-18(12-26)7-19(25)11-20)10-24(31)29-21-13-27-23(6-15(21)2)28-16(3)30/h4-9,11,13H,10H2,1-3H3,(H,29,31)(H,27,28,30)
InChIKeyOQYRLQDWLGGXEM-UHFFFAOYSA-N
MW448.91 g/mol
LogP5.16
Rot. Bonds6

About N-(6-acetamido-4-methyl-3-pyridinyl)-2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]acetamide

N-(6-acetamido-4-methyl-3-pyridinyl)-2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]acetamide (PubChem CID 67480996) has the molecular formula C24H21ClN4O3 and a molecular weight of 448.91 g/mol. Its IUPAC name is N-(6-acetamido-4-methyl-3-pyridinyl)-2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-(6-acetamido-4-methyl-3-pyridinyl)-2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]acetamide
PubChem CID67480996
Molecular FormulaC24H21ClN4O3
Molecular Weight448.91 g/mol
Exact Mass448.13
IUPAC NameN-(6-acetamido-4-methyl-3-pyridinyl)-2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(C)c(NC(=O)Cc2ccc(C)c(Oc3cc(Cl)cc(C#N)c3)c2)cn1
InChIInChI=1S/C24H21ClN4O3/c1-14-4-5-17(9-22(14)32-20-8-18(12-26)7-19(25)11-20)10-24(31)29-21-13-27-23(6-15(21)2)28-16(3)30/h4-9,11,13H,10H2,1-3H3,(H,29,31)(H,27,28,30)
InChIKeyOQYRLQDWLGGXEM-UHFFFAOYSA-N
XLogP5.16
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.91
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(6-acetamido-4-methyl-3-pyridinyl)-2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]acetamide with MolForge

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Related Compounds

2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]acetyl chloride
CID 21079734
2-[4-[[2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]acetyl]amino]-3-methylphenyl]sulfonylacetic acid
CID 21079742
2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]-N-(2-methylpyrazol-3-yl)acetamide
CID 67481878
2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide
CID 21079637
2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]-N-[2-methyl-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]acetamide
CID 68807046
2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]-N-(2-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)acetamide
CID 67481765
2-[4-(3-chloro-5-cyanophenoxy)-3-methoxyphenyl]-N-[2-(chlorosulfamoyl)phenyl]acetamide
CID 87760016
2-[4-chloro-3-(3,5-dicyanophenoxy)phenyl]-N-(2-chlorophenyl)acetamide
CID 21079684
2-[3-(3-chloro-5-cyanophenoxy)-5-methoxyphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 67480750
methyl 2-[4-[[2-[4-chloro-3-(3,5-dicyanophenoxy)phenyl]acetyl]amino]phenyl]acetate
CID 67480960
N-[5-[2-(3-chloro-5-cyanophenoxy)ethyl]-1H-indol-3-yl]acetamide
CID 167467711
ethyl 2-[3-(3-chloro-5-cyanophenoxy)-2-fluoro-4-methylphenyl]acetate
CID 66999330

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-4-methyl-3-pyridinyl)-2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]acetamide?
The IUPAC name of N-(6-acetamido-4-methyl-3-pyridinyl)-2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]acetamide (CID 67480996) is N-(6-acetamido-4-methyl-3-pyridinyl)-2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]acetamide.
What is the SMILES notation for N-(6-acetamido-4-methyl-3-pyridinyl)-2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]acetamide?
The canonical SMILES for N-(6-acetamido-4-methyl-3-pyridinyl)-2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]acetamide is CC(=O)Nc1cc(C)c(NC(=O)Cc2ccc(C)c(Oc3cc(Cl)cc(C#N)c3)c2)cn1.
What is the InChIKey of N-(6-acetamido-4-methyl-3-pyridinyl)-2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]acetamide?
The InChIKey is OQYRLQDWLGGXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O3/c1-14-4-5-17(9-22(14)32-20-8-18(12-26)7-19(25)11-20)10-24(31)29-21-13-27-23(6-15(21)2)28-16(3)30/h4-9,11,13H,10H2,1-3H3,(H,29,31)(H,27,28,30).
What are the key properties of N-(6-acetamido-4-methyl-3-pyridinyl)-2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]acetamide?
N-(6-acetamido-4-methyl-3-pyridinyl)-2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]acetamide has a molecular weight of 448.91 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-4-methyl-3-pyridinyl)-2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]acetamide is sourced from PubChem (CID 67480996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).