N-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide

C21H21N3O3 — CID 155804068

IUPACN-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide
SMILESO=C(CN(Cc1ccccn1)Cc1ccccc1O)Nc1ccccc1O
InChIInChI=1S/C21H21N3O3/c25-19-10-3-1-7-16(19)13-24(14-17-8-5-6-12-22-17)15-21(27)23-18-9-2-4-11-20(18)26/h1-12,25-26H,13-15H2,(H,23,27)
InChIKeyJWDWHVPZANJAMH-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.13
Rot. Bonds7

About N-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide

N-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide (PubChem CID 155804068) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide
PubChem CID155804068
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide
SMILESO=C(CN(Cc1ccccn1)Cc1ccccc1O)Nc1ccccc1O
InChIInChI=1S/C21H21N3O3/c25-19-10-3-1-7-16(19)13-24(14-17-8-5-6-12-22-17)15-21(27)23-18-9-2-4-11-20(18)26/h1-12,25-26H,13-15H2,(H,23,27)
InChIKeyJWDWHVPZANJAMH-UHFFFAOYSA-N
XLogP3.13
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyphenyl)-2-pyridin-2-ylacetamide
CID 11746373
2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide
CID 101498940
2-[[2-[methyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 15845106
2-[[2-[2-hydroxyethyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 102193195
2-[bis(pyridin-2-ylmethyl)amino]-N-(5-pyridin-2-ylpyrazin-2-yl)acetamide
CID 122381522
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
2-[[bis(2-pyridin-2-ylethyl)amino]methyl]phenol
CID 15244964
2-[3,4-dihydropyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide
CID 163809657
2-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113163489
acetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid
CID 162118901
2-[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]-N-pyrazin-2-ylacetamide
CID 50975744
methyl (2R)-2-[[(2R)-2-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]propanoyl]amino]propanoate
CID 118001065

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide (CID 155804068) is N-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide is O=C(CN(Cc1ccccn1)Cc1ccccc1O)Nc1ccccc1O.
What is the InChIKey of N-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide?
The InChIKey is JWDWHVPZANJAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-19-10-3-1-7-16(19)13-24(14-17-8-5-6-12-22-17)15-21(27)23-18-9-2-4-11-20(18)26/h1-12,25-26H,13-15H2,(H,23,27).
What are the key properties of N-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide?
N-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide has a molecular weight of 363.42 g/mol, XLogP of 3.13, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 155804068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).