N-[2-[[4-(1,3-benzodioxol-4-yl)-6-(2-hydroxy-4-methoxyphenyl)-2-pyridinyl]amino]ethyl]acetamide

C23H23N3O5 — CID 137307327

IUPACN-[2-[[4-(1,3-benzodioxol-4-yl)-6-(2-hydroxy-4-methoxyphenyl)-2-pyridinyl]amino]ethyl]acetamide
SMILESCOc1ccc(-c2cc(-c3cccc4c3OCO4)cc(NCCNC(C)=O)n2)c(O)c1
InChIInChI=1S/C23H23N3O5/c1-14(27)24-8-9-25-22-11-15(17-4-3-5-21-23(17)31-13-30-21)10-19(26-22)18-7-6-16(29-2)12-20(18)28/h3-7,10-12,28H,8-9,13H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyOAOJVQLVLYBDHQ-UHFFFAOYSA-N
MW421.45 g/mol
LogP3.41
Rot. Bonds7

About N-[2-[[4-(1,3-benzodioxol-4-yl)-6-(2-hydroxy-4-methoxyphenyl)-2-pyridinyl]amino]ethyl]acetamide

N-[2-[[4-(1,3-benzodioxol-4-yl)-6-(2-hydroxy-4-methoxyphenyl)-2-pyridinyl]amino]ethyl]acetamide (PubChem CID 137307327) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is N-[2-[[4-(1,3-benzodioxol-4-yl)-6-(2-hydroxy-4-methoxyphenyl)-2-pyridinyl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[4-(1,3-benzodioxol-4-yl)-6-(2-hydroxy-4-methoxyphenyl)-2-pyridinyl]amino]ethyl]acetamide
PubChem CID137307327
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC NameN-[2-[[4-(1,3-benzodioxol-4-yl)-6-(2-hydroxy-4-methoxyphenyl)-2-pyridinyl]amino]ethyl]acetamide
SMILESCOc1ccc(-c2cc(-c3cccc4c3OCO4)cc(NCCNC(C)=O)n2)c(O)c1
InChIInChI=1S/C23H23N3O5/c1-14(27)24-8-9-25-22-11-15(17-4-3-5-21-23(17)31-13-30-21)10-19(26-22)18-7-6-16(29-2)12-20(18)28/h3-7,10-12,28H,8-9,13H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyOAOJVQLVLYBDHQ-UHFFFAOYSA-N
XLogP3.41
TPSA101.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-[[4-(1,3-benzodioxol-4-yl)-6-(2-hydroxy-4-methoxyphenyl)-2-pyridinyl]amino]ethyl]acetamide with MolForge

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Related Compounds

2-[4-(1,3-benzodioxol-4-yl)-6-(3-hydroxypropylamino)-2-pyridinyl]-5-methoxyphenol
CID 137307325
2-[4-(1,3-benzodioxol-4-yl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]-5-methoxyphenol
CID 137307329
2-[4-(1,3-benzodioxol-4-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-pyridinyl]-5-methoxyphenol
CID 137307343
4-[[4-(1,3-benzodioxol-4-yl)-6-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]amino]butanoic acid
CID 137307293
4-[[4-(1,3-benzodioxol-4-yl)-6-(5-bromo-2-hydroxyphenyl)-2-pyridinyl]amino]butanoic acid
CID 137290777
2-[4-(1,3-benzodioxol-4-yl)-6-(3-hydroxypropylamino)-2-pyridinyl]-4-chlorophenol
CID 137307258
N-[2-[[4-(2,6-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]ethyl]acetamide
CID 137290835
2-[4-(4-chloro-3-fluorophenyl)-6-(3-hydroxypropylamino)-2-pyridinyl]-5-methoxyphenol
CID 137290858
2-[4-(4-chloro-3-fluorophenyl)-6-(3-methoxypropylamino)-2-pyridinyl]-5-methoxyphenol
CID 137290856
2-[4-(4-chloro-3-fluorophenyl)-6-(3-propan-2-yloxypropylamino)-2-pyridinyl]-5-methoxyphenol
CID 137290865
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(1,3-benzodioxol-4-yl)-6-(2-hydroxy-4-methoxyphenyl)-2-pyridinyl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[4-(1,3-benzodioxol-4-yl)-6-(2-hydroxy-4-methoxyphenyl)-2-pyridinyl]amino]ethyl]acetamide (CID 137307327) is N-[2-[[4-(1,3-benzodioxol-4-yl)-6-(2-hydroxy-4-methoxyphenyl)-2-pyridinyl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[4-(1,3-benzodioxol-4-yl)-6-(2-hydroxy-4-methoxyphenyl)-2-pyridinyl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[4-(1,3-benzodioxol-4-yl)-6-(2-hydroxy-4-methoxyphenyl)-2-pyridinyl]amino]ethyl]acetamide is COc1ccc(-c2cc(-c3cccc4c3OCO4)cc(NCCNC(C)=O)n2)c(O)c1.
What is the InChIKey of N-[2-[[4-(1,3-benzodioxol-4-yl)-6-(2-hydroxy-4-methoxyphenyl)-2-pyridinyl]amino]ethyl]acetamide?
The InChIKey is OAOJVQLVLYBDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-14(27)24-8-9-25-22-11-15(17-4-3-5-21-23(17)31-13-30-21)10-19(26-22)18-7-6-16(29-2)12-20(18)28/h3-7,10-12,28H,8-9,13H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of N-[2-[[4-(1,3-benzodioxol-4-yl)-6-(2-hydroxy-4-methoxyphenyl)-2-pyridinyl]amino]ethyl]acetamide?
N-[2-[[4-(1,3-benzodioxol-4-yl)-6-(2-hydroxy-4-methoxyphenyl)-2-pyridinyl]amino]ethyl]acetamide has a molecular weight of 421.45 g/mol, XLogP of 3.41, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(1,3-benzodioxol-4-yl)-6-(2-hydroxy-4-methoxyphenyl)-2-pyridinyl]amino]ethyl]acetamide is sourced from PubChem (CID 137307327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).