[4-[(2-hydroxy-5-pyridin-3-ylphenyl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate

C26H22N4O4 — CID 25155692

IUPAC[4-[(2-hydroxy-5-pyridin-3-ylphenyl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate
SMILESO=C(NCc1cccnc1)OCc1ccc(C(=O)Nc2cc(-c3cccnc3)ccc2O)cc1
InChIInChI=1S/C26H22N4O4/c31-24-10-9-21(22-4-2-12-28-16-22)13-23(24)30-25(32)20-7-5-18(6-8-20)17-34-26(33)29-15-19-3-1-11-27-14-19/h1-14,16,31H,15,17H2,(H,29,33)(H,30,32)
InChIKeyURKJJPBXOCEGIE-UHFFFAOYSA-N
MW454.49 g/mol
LogP4.53
Rot. Bonds7

About [4-[(2-hydroxy-5-pyridin-3-ylphenyl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate

[4-[(2-hydroxy-5-pyridin-3-ylphenyl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate (PubChem CID 25155692) has the molecular formula C26H22N4O4 and a molecular weight of 454.49 g/mol. Its IUPAC name is [4-[(2-hydroxy-5-pyridin-3-ylphenyl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate.

Molecular Properties

Compound Name[4-[(2-hydroxy-5-pyridin-3-ylphenyl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate
PubChem CID25155692
Molecular FormulaC26H22N4O4
Molecular Weight454.49 g/mol
Exact Mass454.16
IUPAC Name[4-[(2-hydroxy-5-pyridin-3-ylphenyl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate
SMILESO=C(NCc1cccnc1)OCc1ccc(C(=O)Nc2cc(-c3cccnc3)ccc2O)cc1
InChIInChI=1S/C26H22N4O4/c31-24-10-9-21(22-4-2-12-28-16-22)13-23(24)30-25(32)20-7-5-18(6-8-20)17-34-26(33)29-15-19-3-1-11-27-14-19/h1-14,16,31H,15,17H2,(H,29,33)(H,30,32)
InChIKeyURKJJPBXOCEGIE-UHFFFAOYSA-N
XLogP4.53
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-5-phenylphenyl)-4-{[(pyridin-3-ylmethyl)amino]methyl}benzamide
CID 25159049
N-(2-hydroxy-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
CID 25159052
N-(2-hydroxy-5-phenylphenyl)-4-({[1-(pyridin-4-yl)ethyl]amino}methyl)benzamide
CID 25218547
N-(2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
CID 25218552
N-(2-hydroxy-5-phenylphenyl)pyridine-3-carboxamide
CID 44454622
N-(2-hydroxy-5-phenylphenyl)pyridine-4-carboxamide
CID 44454623
pyridin-3-ylmethyl N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate
CID 10474722
pyridin-3-ylmethyl N-[[4-[(2-hydroxy-5-phenylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 25155421
N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]benzamide
CID 59627285
N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(pyrazin-2-ylmethyl)amino]methyl]benzamide
CID 59627321
N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(pyridin-4-yl)amino]methyl]benzamide
CID 59627337
N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzamide
CID 59627347

Frequently Asked Questions

What is the IUPAC name of [4-[(2-hydroxy-5-pyridin-3-ylphenyl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate?
The IUPAC name of [4-[(2-hydroxy-5-pyridin-3-ylphenyl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate (CID 25155692) is [4-[(2-hydroxy-5-pyridin-3-ylphenyl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate.
What is the SMILES notation for [4-[(2-hydroxy-5-pyridin-3-ylphenyl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate?
The canonical SMILES for [4-[(2-hydroxy-5-pyridin-3-ylphenyl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate is O=C(NCc1cccnc1)OCc1ccc(C(=O)Nc2cc(-c3cccnc3)ccc2O)cc1.
What is the InChIKey of [4-[(2-hydroxy-5-pyridin-3-ylphenyl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate?
The InChIKey is URKJJPBXOCEGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O4/c31-24-10-9-21(22-4-2-12-28-16-22)13-23(24)30-25(32)20-7-5-18(6-8-20)17-34-26(33)29-15-19-3-1-11-27-14-19/h1-14,16,31H,15,17H2,(H,29,33)(H,30,32).
What are the key properties of [4-[(2-hydroxy-5-pyridin-3-ylphenyl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate?
[4-[(2-hydroxy-5-pyridin-3-ylphenyl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate has a molecular weight of 454.49 g/mol, XLogP of 4.53, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-hydroxy-5-pyridin-3-ylphenyl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate is sourced from PubChem (CID 25155692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).