N-ethanimidoyl-2-hydroxy-5-pyridin-2-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyridin-3-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyridin-4-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyrimidin-4-ylbenzamide

C55H51N13O8 — CID 163845855

IUPACN-ethanimidoyl-2-hydroxy-5-pyridin-2-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyridin-3-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyridin-4-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyrimidin-4-ylbenzamide
SMILES[H]/N=C(\C)NC(=O)c1cc(-c2ccccn2)ccc1O.[H]/N=C(\C)NC(=O)c1cc(-c2cccnc2)ccc1O.[H]/N=C(\C)NC(=O)c1cc(-c2ccncc2)ccc1O.[H]/N=C(\C)NC(=O)c1cc(-c2ccncn2)ccc1O
InChIInChI=1S/3C14H13N3O2.C13H12N4O2/c1-9(15)17-14(19)12-8-11(2-3-13(12)18)10-4-6-16-7-5-10;1-9(15)17-14(19)12-7-10(4-5-13(12)18)11-3-2-6-16-8-11;1-9(15)17-14(19)11-8-10(5-6-13(11)18)12-4-2-3-7-16-12;1-8(14)17-13(19)10-6-9(2-3-12(10)18)11-4-5-15-7-16-11/h3*2-8,18H,1H3,(H2,15,17,19);2-7,18H,1H3,(H2,14,17,19)
InChIKeyOQBWLCKMMGXECI-UHFFFAOYSA-N
MW1022.10 g/mol
LogP8.12
Rot. Bonds8

About N-ethanimidoyl-2-hydroxy-5-pyridin-2-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyridin-3-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyridin-4-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyrimidin-4-ylbenzamide

N-ethanimidoyl-2-hydroxy-5-pyridin-2-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyridin-3-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyridin-4-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyrimidin-4-ylbenzamide (PubChem CID 163845855) has the molecular formula C55H51N13O8 and a molecular weight of 1022.10 g/mol. Its IUPAC name is N-ethanimidoyl-2-hydroxy-5-pyridin-2-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyridin-3-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyridin-4-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyrimidin-4-ylbenzamide.

Molecular Properties

Compound NameN-ethanimidoyl-2-hydroxy-5-pyridin-2-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyridin-3-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyridin-4-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyrimidin-4-ylbenzamide
PubChem CID163845855
Molecular FormulaC55H51N13O8
Molecular Weight1022.10 g/mol
Exact Mass1021.40
IUPAC NameN-ethanimidoyl-2-hydroxy-5-pyridin-2-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyridin-3-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyridin-4-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyrimidin-4-ylbenzamide
SMILES[H]/N=C(\C)NC(=O)c1cc(-c2ccccn2)ccc1O.[H]/N=C(\C)NC(=O)c1cc(-c2cccnc2)ccc1O.[H]/N=C(\C)NC(=O)c1cc(-c2ccncc2)ccc1O.[H]/N=C(\C)NC(=O)c1cc(-c2ccncn2)ccc1O
InChIInChI=1S/3C14H13N3O2.C13H12N4O2/c1-9(15)17-14(19)12-8-11(2-3-13(12)18)10-4-6-16-7-5-10;1-9(15)17-14(19)12-7-10(4-5-13(12)18)11-3-2-6-16-8-11;1-9(15)17-14(19)11-8-10(5-6-13(11)18)12-4-2-3-7-16-12;1-8(14)17-13(19)10-6-9(2-3-12(10)18)11-4-5-15-7-16-11/h3*2-8,18H,1H3,(H2,15,17,19);2-7,18H,1H3,(H2,14,17,19)
InChIKeyOQBWLCKMMGXECI-UHFFFAOYSA-N
XLogP8.12
TPSA357.17 Ų
H-Bond Donors12
H-Bond Acceptors17
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001022.10
LogP ≤ 58.12
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-[2-[[(2R,4R)-4-fluoro-2-(3-fluoro-2-pyridinyl)-2-methylpentyl]amino]pyrimidin-5-yl]-2-hydroxybenzamide
CID 68232630
[3-(2-Amino-6-pyridin-4-ylpyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
CID 135464298
5-[2-(3-Fluoroanilino)pyrimidin-4-yl]-2-hydroxybenzamide
CID 135499971
5-[2-(4-Fluoroanilino)pyrimidin-4-yl]-2-hydroxybenzamide
CID 135503645
2-Tert-butyl-5-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 162059057
2-fluoro-4-[[4-(4-hydroxyphenyl)pyrimidin-2-yl]amino]-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172533151
2-hydroxy-5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide
CID 39028819
4-[[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-hydroxy-N-(4-pyridin-2-ylphenyl)benzamide
CID 58948903
[3-[5-[6-[(3-Hydroxyphenyl)methylamino]-2-pyridin-2-ylpyrimidin-4-yl]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 67329683
N-[(3R,4R)-4-[[4-[5-(3,3-dimethylpiperidin-2-yl)-2-hydroxybenzoyl]benzoyl]amino]azepan-3-yl]pyrimidine-4-carboxamide
CID 91496188
5-[2-(3,4-Dimethylanilino)pyrimidin-4-yl]-2-hydroxybenzamide
CID 135433937
5-(2-Anilinopyrimidin-4-yl)-2-hydroxybenzamide
CID 135474315

Frequently Asked Questions

What is the IUPAC name of N-ethanimidoyl-2-hydroxy-5-pyridin-2-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyridin-3-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyridin-4-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyrimidin-4-ylbenzamide?
The IUPAC name of N-ethanimidoyl-2-hydroxy-5-pyridin-2-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyridin-3-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyridin-4-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyrimidin-4-ylbenzamide (CID 163845855) is N-ethanimidoyl-2-hydroxy-5-pyridin-2-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyridin-3-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyridin-4-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyrimidin-4-ylbenzamide.
What is the SMILES notation for N-ethanimidoyl-2-hydroxy-5-pyridin-2-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyridin-3-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyridin-4-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyrimidin-4-ylbenzamide?
The canonical SMILES for N-ethanimidoyl-2-hydroxy-5-pyridin-2-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyridin-3-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyridin-4-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyrimidin-4-ylbenzamide is [H]/N=C(\C)NC(=O)c1cc(-c2ccccn2)ccc1O.[H]/N=C(\C)NC(=O)c1cc(-c2cccnc2)ccc1O.[H]/N=C(\C)NC(=O)c1cc(-c2ccncc2)ccc1O.[H]/N=C(\C)NC(=O)c1cc(-c2ccncn2)ccc1O.
What is the InChIKey of N-ethanimidoyl-2-hydroxy-5-pyridin-2-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyridin-3-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyridin-4-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyrimidin-4-ylbenzamide?
The InChIKey is OQBWLCKMMGXECI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H13N3O2.C13H12N4O2/c1-9(15)17-14(19)12-8-11(2-3-13(12)18)10-4-6-16-7-5-10;1-9(15)17-14(19)12-7-10(4-5-13(12)18)11-3-2-6-16-8-11;1-9(15)17-14(19)11-8-10(5-6-13(11)18)12-4-2-3-7-16-12;1-8(14)17-13(19)10-6-9(2-3-12(10)18)11-4-5-15-7-16-11/h3*2-8,18H,1H3,(H2,15,17,19);2-7,18H,1H3,(H2,14,17,19).
What are the key properties of N-ethanimidoyl-2-hydroxy-5-pyridin-2-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyridin-3-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyridin-4-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyrimidin-4-ylbenzamide?
N-ethanimidoyl-2-hydroxy-5-pyridin-2-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyridin-3-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyridin-4-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyrimidin-4-ylbenzamide has a molecular weight of 1022.10 g/mol, XLogP of 8.12, 8 rotatable bonds, 12 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethanimidoyl-2-hydroxy-5-pyridin-2-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyridin-3-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyridin-4-ylbenzamide;N-ethanimidoyl-2-hydroxy-5-pyrimidin-4-ylbenzamide is sourced from PubChem (CID 163845855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).