4-[[ethoxy(hydroxy)methyl]amino]-2-hydroxy-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide

C19H20N6O4 — CID 163542852

IUPAC4-[[ethoxy(hydroxy)methyl]amino]-2-hydroxy-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide
SMILESCCOC(O)Nc1ccc(C(=O)Nc2nc(C)nc(-c3ccccn3)n2)c(O)c1
InChIInChI=1S/C19H20N6O4/c1-3-29-19(28)23-12-7-8-13(15(26)10-12)17(27)25-18-22-11(2)21-16(24-18)14-6-4-5-9-20-14/h4-10,19,23,26,28H,3H2,1-2H3,(H,21,22,24,25,27)
InChIKeyFCOYXTRKIFQLSX-UHFFFAOYSA-N
MW396.41 g/mol
LogP1.92
Rot. Bonds7

About 4-[[ethoxy(hydroxy)methyl]amino]-2-hydroxy-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide

4-[[ethoxy(hydroxy)methyl]amino]-2-hydroxy-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide (PubChem CID 163542852) has the molecular formula C19H20N6O4 and a molecular weight of 396.41 g/mol. Its IUPAC name is 4-[[ethoxy(hydroxy)methyl]amino]-2-hydroxy-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide.

Molecular Properties

Compound Name4-[[ethoxy(hydroxy)methyl]amino]-2-hydroxy-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide
PubChem CID163542852
Molecular FormulaC19H20N6O4
Molecular Weight396.41 g/mol
Exact Mass396.15
IUPAC Name4-[[ethoxy(hydroxy)methyl]amino]-2-hydroxy-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide
SMILESCCOC(O)Nc1ccc(C(=O)Nc2nc(C)nc(-c3ccccn3)n2)c(O)c1
InChIInChI=1S/C19H20N6O4/c1-3-29-19(28)23-12-7-8-13(15(26)10-12)17(27)25-18-22-11(2)21-16(24-18)14-6-4-5-9-20-14/h4-10,19,23,26,28H,3H2,1-2H3,(H,21,22,24,25,27)
InChIKeyFCOYXTRKIFQLSX-UHFFFAOYSA-N
XLogP1.92
TPSA142.38 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-benzamido-2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide
CID 70814351
4-[(dimethylamino)methyl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide
CID 70936560
6-(benzylamino)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide
CID 70814398
2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 88993281
N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-sulfamoylbenzamide
CID 70814294
1-(6-chloro-3-pyridinyl)-3-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)urea
CID 88993278
2,4-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-thiazole-5-carboxamide
CID 70814564
1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrrole-2-carboxamide
CID 70814491
N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 70814538
N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 70814424
6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide
CID 70814423
6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide
CID 71263653

Frequently Asked Questions

What is the IUPAC name of 4-[[ethoxy(hydroxy)methyl]amino]-2-hydroxy-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide?
The IUPAC name of 4-[[ethoxy(hydroxy)methyl]amino]-2-hydroxy-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide (CID 163542852) is 4-[[ethoxy(hydroxy)methyl]amino]-2-hydroxy-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide.
What is the SMILES notation for 4-[[ethoxy(hydroxy)methyl]amino]-2-hydroxy-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide?
The canonical SMILES for 4-[[ethoxy(hydroxy)methyl]amino]-2-hydroxy-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide is CCOC(O)Nc1ccc(C(=O)Nc2nc(C)nc(-c3ccccn3)n2)c(O)c1.
What is the InChIKey of 4-[[ethoxy(hydroxy)methyl]amino]-2-hydroxy-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide?
The InChIKey is FCOYXTRKIFQLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O4/c1-3-29-19(28)23-12-7-8-13(15(26)10-12)17(27)25-18-22-11(2)21-16(24-18)14-6-4-5-9-20-14/h4-10,19,23,26,28H,3H2,1-2H3,(H,21,22,24,25,27).
What are the key properties of 4-[[ethoxy(hydroxy)methyl]amino]-2-hydroxy-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide?
4-[[ethoxy(hydroxy)methyl]amino]-2-hydroxy-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide has a molecular weight of 396.41 g/mol, XLogP of 1.92, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethoxy(hydroxy)methyl]amino]-2-hydroxy-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide is sourced from PubChem (CID 163542852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).