N-[2-[[4-(2,6-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]ethyl]acetamide

C22H21Cl2N3O2 — CID 137290835

IUPACN-[2-[[4-(2,6-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1cc(-c2c(Cl)cccc2Cl)cc(-c2cc(C)ccc2O)n1
InChIInChI=1S/C22H21Cl2N3O2/c1-13-6-7-20(29)16(10-13)19-11-15(22-17(23)4-3-5-18(22)24)12-21(27-19)26-9-8-25-14(2)28/h3-7,10-12,29H,8-9H2,1-2H3,(H,25,28)(H,26,27)
InChIKeySSEJJFKTDRJKNR-UHFFFAOYSA-N
MW430.34 g/mol
LogP5.28
Rot. Bonds6

About N-[2-[[4-(2,6-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]ethyl]acetamide

N-[2-[[4-(2,6-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]ethyl]acetamide (PubChem CID 137290835) has the molecular formula C22H21Cl2N3O2 and a molecular weight of 430.34 g/mol. Its IUPAC name is N-[2-[[4-(2,6-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[4-(2,6-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]ethyl]acetamide
PubChem CID137290835
Molecular FormulaC22H21Cl2N3O2
Molecular Weight430.34 g/mol
Exact Mass429.10
IUPAC NameN-[2-[[4-(2,6-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1cc(-c2c(Cl)cccc2Cl)cc(-c2cc(C)ccc2O)n1
InChIInChI=1S/C22H21Cl2N3O2/c1-13-6-7-20(29)16(10-13)19-11-15(22-17(23)4-3-5-18(22)24)12-21(27-19)26-9-8-25-14(2)28/h3-7,10-12,29H,8-9H2,1-2H3,(H,25,28)(H,26,27)
InChIKeySSEJJFKTDRJKNR-UHFFFAOYSA-N
XLogP5.28
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.34
LogP ≤ 55.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[[4-(2,6-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one
CID 137290843
2-[4-(2,6-dichlorophenyl)-6-(3-hydroxypropylamino)-2-pyridinyl]-4-fluorophenol
CID 137290814
4-chloro-2-[4-(2-chloro-6-fluorophenyl)-6-(3-hydroxypropylamino)-2-pyridinyl]-5-methylphenol
CID 137306942
2-[4-(2-chloro-6-fluorophenyl)-6-pyrrolidin-1-yl-2-pyridinyl]-4-methylphenol
CID 137306802
N-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)pyrimidin-4-yl]amino]ethyl]-2-(4-methylphenyl)acetamide
CID 22353521
4-methyl-2-[4-(4-methylsulfanylphenyl)-6-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]phenol
CID 137290748
2-[4-(4-chloro-3-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]-4-methylphenol
CID 137290609
1-[3-[[4-(4-chloro-3-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one
CID 137290617
2-[4-(2-chloro-6-fluorophenyl)-6-(3-morpholin-4-ylpropylamino)-2-pyridinyl]phenol
CID 137306796
2-[6-(ethylamino)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylphenol
CID 137306954
N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 60876058
N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(3-hydroxypropylamino)-4-pyridinyl]phenyl]acetamide
CID 137290687

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(2,6-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[4-(2,6-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]ethyl]acetamide (CID 137290835) is N-[2-[[4-(2,6-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[4-(2,6-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[4-(2,6-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]ethyl]acetamide is CC(=O)NCCNc1cc(-c2c(Cl)cccc2Cl)cc(-c2cc(C)ccc2O)n1.
What is the InChIKey of N-[2-[[4-(2,6-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]ethyl]acetamide?
The InChIKey is SSEJJFKTDRJKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O2/c1-13-6-7-20(29)16(10-13)19-11-15(22-17(23)4-3-5-18(22)24)12-21(27-19)26-9-8-25-14(2)28/h3-7,10-12,29H,8-9H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-[2-[[4-(2,6-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]ethyl]acetamide?
N-[2-[[4-(2,6-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]ethyl]acetamide has a molecular weight of 430.34 g/mol, XLogP of 5.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(2,6-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]ethyl]acetamide is sourced from PubChem (CID 137290835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).