N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-3-methoxybenzamide

C26H23N3O3 — CID 77212044

IUPACN-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(c2ccccc2)C(O)(c2cccnc2)c2cccnc2)c1
InChIInChI=1S/C26H23N3O3/c1-32-23-13-5-10-20(16-23)25(30)29-24(19-8-3-2-4-9-19)26(31,21-11-6-14-27-17-21)22-12-7-15-28-18-22/h2-18,24,31H,1H3,(H,29,30)
InChIKeyYUCLHQJEAOZGLS-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.89
Rot. Bonds7

About N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-3-methoxybenzamide

N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-3-methoxybenzamide (PubChem CID 77212044) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-3-methoxybenzamide
PubChem CID77212044
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC NameN-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(c2ccccc2)C(O)(c2cccnc2)c2cccnc2)c1
InChIInChI=1S/C26H23N3O3/c1-32-23-13-5-10-20(16-23)25(30)29-24(19-8-3-2-4-9-19)26(31,21-11-6-14-27-17-21)22-12-7-15-28-18-22/h2-18,24,31H,1H3,(H,29,30)
InChIKeyYUCLHQJEAOZGLS-UHFFFAOYSA-N
XLogP3.89
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]amino]-2-oxoethyl]benzamide
CID 69101909
2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]acetamide
CID 87216450
3-methoxy-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500173
trans-(1R,2R)-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylcyclopropane-1-carboxamide
CID 66962407
N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylmethoxyacetamide
CID 57425636
2-(ethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol
CID 66962752
1-(3-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione
CID 43321352
N-[(4-bromophenyl)-phenylmethyl]-3-methoxybenzamide
CID 2952126
4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide
CID 20896997
3-methoxy-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide
CID 122195499
3-(1-pyridin-3-ylethylcarbamoyl)benzoic acid
CID 43523910
(2S)-2-[(3-methoxybenzoyl)amino]propanoic acid
CID 42254442

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-3-methoxybenzamide?
The IUPAC name of N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-3-methoxybenzamide (CID 77212044) is N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-3-methoxybenzamide.
What is the SMILES notation for N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-3-methoxybenzamide?
The canonical SMILES for N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-3-methoxybenzamide is COc1cccc(C(=O)NC(c2ccccc2)C(O)(c2cccnc2)c2cccnc2)c1.
What is the InChIKey of N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-3-methoxybenzamide?
The InChIKey is YUCLHQJEAOZGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-32-23-13-5-10-20(16-23)25(30)29-24(19-8-3-2-4-9-19)26(31,21-11-6-14-27-17-21)22-12-7-15-28-18-22/h2-18,24,31H,1H3,(H,29,30).
What are the key properties of N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-3-methoxybenzamide?
N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-3-methoxybenzamide has a molecular weight of 425.49 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-3-methoxybenzamide is sourced from PubChem (CID 77212044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).