2-[4-[2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[(3-methoxyphenyl)methyl]acetamide

C26H32N4O3 — CID 142973149

IUPAC2-[4-[2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)Cc2ccc(CC(C)NCC(O)c3ccc(N)nc3)cc2)c1
InChIInChI=1S/C26H32N4O3/c1-18(28-17-24(31)22-10-11-25(27)29-16-22)12-19-6-8-20(9-7-19)14-26(32)30-15-21-4-3-5-23(13-21)33-2/h3-11,13,16,18,24,28,31H,12,14-15,17H2,1-2H3,(H2,27,29)(H,30,32)
InChIKeyLFPJFTVBMQMSLV-UHFFFAOYSA-N
MW448.57 g/mol
LogP2.79
Rot. Bonds11

About 2-[4-[2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[(3-methoxyphenyl)methyl]acetamide

2-[4-[2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 142973149) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 2-[4-[2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID142973149
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name2-[4-[2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)Cc2ccc(CC(C)NCC(O)c3ccc(N)nc3)cc2)c1
InChIInChI=1S/C26H32N4O3/c1-18(28-17-24(31)22-10-11-25(27)29-16-22)12-19-6-8-20(9-7-19)14-26(32)30-15-21-4-3-5-23(13-21)33-2/h3-11,13,16,18,24,28,31H,12,14-15,17H2,1-2H3,(H2,27,29)(H,30,32)
InChIKeyLFPJFTVBMQMSLV-UHFFFAOYSA-N
XLogP2.79
TPSA109.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[[2-[3-[2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]acetyl]amino]methyl]-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 22051230
4-[[[2-[3-[2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]acetyl]amino]methyl]-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 69115550
2-[3-[(2R)-2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-benzylacetamide
CID 69219282
2-[3-[(2R)-2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[[3-(4-hydroxyphenyl)phenyl]methyl]acetamide
CID 69219323
N-[[4-[[[2-[3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]acetyl]amino]methyl]phenyl]methyl]-2,2-diphenylacetamide
CID 11215879
2-[3-[(2R)-2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[[4-(benzylsulfamoyl)phenyl]methyl]acetamide
CID 69114819
4-[[[2-[3-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]acetyl]amino]methyl]-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 11763562
2-[3-[2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[[3-(benzylsulfamoyl)phenyl]methyl]acetamide
CID 21035390
2-[3-[(2R)-2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[(5-chloro-2-hydroxyphenyl)methyl]acetamide
CID 69221187
4-[[[2-[3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]acetyl]amino]methyl]-N-[[3-(ethylsulfamoyl)phenyl]methyl]benzamide
CID 11467966
4-[[[2-[3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]acetyl]amino]methyl]-N-[[4-(benzylsulfamoyl)phenyl]methyl]benzamide
CID 11320100
2-[3-[(2R)-2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[2-(3-hydroxyphenyl)ethyl]acetamide
CID 69219037

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[4-[2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[(3-methoxyphenyl)methyl]acetamide (CID 142973149) is 2-[4-[2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-[2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-[2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)Cc2ccc(CC(C)NCC(O)c3ccc(N)nc3)cc2)c1.
What is the InChIKey of 2-[4-[2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is LFPJFTVBMQMSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-18(28-17-24(31)22-10-11-25(27)29-16-22)12-19-6-8-20(9-7-19)14-26(32)30-15-21-4-3-5-23(13-21)33-2/h3-11,13,16,18,24,28,31H,12,14-15,17H2,1-2H3,(H2,27,29)(H,30,32).
What are the key properties of 2-[4-[2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[(3-methoxyphenyl)methyl]acetamide?
2-[4-[2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 448.57 g/mol, XLogP of 2.79, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 142973149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).