N-hydroxy-4-[[4-(4-hydroxy-3-methoxyphenyl)-5-[[4-[hydroxy(oxido)azaniumyl]phenyl]carbamoyl]-2,6-dimethyl-1,4-dihydropyridine-3-carbonyl]amino]benzeneamine oxide

C28H29N5O8 — CID 21141851

IUPACN-hydroxy-4-[[4-(4-hydroxy-3-methoxyphenyl)-5-[[4-[hydroxy(oxido)azaniumyl]phenyl]carbamoyl]-2,6-dimethyl-1,4-dihydropyridine-3-carbonyl]amino]benzeneamine oxide
SMILESCOc1cc(C2C(C(=O)Nc3ccc([NH+]([O-])O)cc3)=C(C)NC(C)=C2C(=O)Nc2ccc([NH+]([O-])O)cc2)ccc1O
InChIInChI=1S/C28H29N5O8/c1-15-24(27(35)30-18-5-9-20(10-6-18)32(37)38)26(17-4-13-22(34)23(14-17)41-3)25(16(2)29-15)28(36)31-19-7-11-21(12-8-19)33(39)40/h4-14,26,29,32-34,37,39H,1-3H3,(H,30,35)(H,31,36)
InChIKeyHVJQSEYOYQTPGH-UHFFFAOYSA-N
MW563.57 g/mol
LogP1.72
Rot. Bonds8

About N-hydroxy-4-[[4-(4-hydroxy-3-methoxyphenyl)-5-[[4-[hydroxy(oxido)azaniumyl]phenyl]carbamoyl]-2,6-dimethyl-1,4-dihydropyridine-3-carbonyl]amino]benzeneamine oxide

N-hydroxy-4-[[4-(4-hydroxy-3-methoxyphenyl)-5-[[4-[hydroxy(oxido)azaniumyl]phenyl]carbamoyl]-2,6-dimethyl-1,4-dihydropyridine-3-carbonyl]amino]benzeneamine oxide (PubChem CID 21141851) has the molecular formula C28H29N5O8 and a molecular weight of 563.57 g/mol. Its IUPAC name is N-hydroxy-4-[[4-(4-hydroxy-3-methoxyphenyl)-5-[[4-[hydroxy(oxido)azaniumyl]phenyl]carbamoyl]-2,6-dimethyl-1,4-dihydropyridine-3-carbonyl]amino]benzeneamine oxide.

Molecular Properties

Compound NameN-hydroxy-4-[[4-(4-hydroxy-3-methoxyphenyl)-5-[[4-[hydroxy(oxido)azaniumyl]phenyl]carbamoyl]-2,6-dimethyl-1,4-dihydropyridine-3-carbonyl]amino]benzeneamine oxide
PubChem CID21141851
Molecular FormulaC28H29N5O8
Molecular Weight563.57 g/mol
Exact Mass563.20
IUPAC NameN-hydroxy-4-[[4-(4-hydroxy-3-methoxyphenyl)-5-[[4-[hydroxy(oxido)azaniumyl]phenyl]carbamoyl]-2,6-dimethyl-1,4-dihydropyridine-3-carbonyl]amino]benzeneamine oxide
SMILESCOc1cc(C2C(C(=O)Nc3ccc([NH+]([O-])O)cc3)=C(C)NC(C)=C2C(=O)Nc2ccc([NH+]([O-])O)cc2)ccc1O
InChIInChI=1S/C28H29N5O8/c1-15-24(27(35)30-18-5-9-20(10-6-18)32(37)38)26(17-4-13-22(34)23(14-17)41-3)25(16(2)29-15)28(36)31-19-7-11-21(12-8-19)33(39)40/h4-14,26,29,32-34,37,39H,1-3H3,(H,30,35)(H,31,36)
InChIKeyHVJQSEYOYQTPGH-UHFFFAOYSA-N
XLogP1.72
TPSA195.15 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.57
LogP ≤ 51.72
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-4-[[4-(4-hydroxy-3-methoxyphenyl)-5-[[4-[hydroxy(oxido)azaniumyl]phenyl]carbamoyl]-2,6-dimethyl-1,4-dihydropyridine-3-carbonyl]amino]benzeneamine oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N,5-N-bis(2,6-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 4101818
4-[3,5-bis[(3-chlorophenyl)carbamoyl]-2,6-dimethyl-1,4-dihydropyridin-4-yl]-N-hydroxybenzeneamine oxide
CID 21141862
(4R,7R)-N-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 92848676
(4R)-N-(3,4-difluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1158758
N-(4-chlorophenyl)-7-(4-hydroxy-3-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 3160948
N-(3,4-difluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2908206
dimethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate;hydrate
CID 51056928
ethyl 4-[[(7S)-3-carbamoyl-7-(4-hydroxy-3-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]benzoate
CID 136798165
methyl (5R)-5-(4-hydroxy-3-methoxyphenyl)-7-methyl-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 7689876
N-(3-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 2901931
(4R)-3-N,5-N-bis(2,6-diethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 95907086
(4S)-4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-N-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 1014866

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[4-(4-hydroxy-3-methoxyphenyl)-5-[[4-[hydroxy(oxido)azaniumyl]phenyl]carbamoyl]-2,6-dimethyl-1,4-dihydropyridine-3-carbonyl]amino]benzeneamine oxide?
The IUPAC name of N-hydroxy-4-[[4-(4-hydroxy-3-methoxyphenyl)-5-[[4-[hydroxy(oxido)azaniumyl]phenyl]carbamoyl]-2,6-dimethyl-1,4-dihydropyridine-3-carbonyl]amino]benzeneamine oxide (CID 21141851) is N-hydroxy-4-[[4-(4-hydroxy-3-methoxyphenyl)-5-[[4-[hydroxy(oxido)azaniumyl]phenyl]carbamoyl]-2,6-dimethyl-1,4-dihydropyridine-3-carbonyl]amino]benzeneamine oxide.
What is the SMILES notation for N-hydroxy-4-[[4-(4-hydroxy-3-methoxyphenyl)-5-[[4-[hydroxy(oxido)azaniumyl]phenyl]carbamoyl]-2,6-dimethyl-1,4-dihydropyridine-3-carbonyl]amino]benzeneamine oxide?
The canonical SMILES for N-hydroxy-4-[[4-(4-hydroxy-3-methoxyphenyl)-5-[[4-[hydroxy(oxido)azaniumyl]phenyl]carbamoyl]-2,6-dimethyl-1,4-dihydropyridine-3-carbonyl]amino]benzeneamine oxide is COc1cc(C2C(C(=O)Nc3ccc([NH+]([O-])O)cc3)=C(C)NC(C)=C2C(=O)Nc2ccc([NH+]([O-])O)cc2)ccc1O.
What is the InChIKey of N-hydroxy-4-[[4-(4-hydroxy-3-methoxyphenyl)-5-[[4-[hydroxy(oxido)azaniumyl]phenyl]carbamoyl]-2,6-dimethyl-1,4-dihydropyridine-3-carbonyl]amino]benzeneamine oxide?
The InChIKey is HVJQSEYOYQTPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O8/c1-15-24(27(35)30-18-5-9-20(10-6-18)32(37)38)26(17-4-13-22(34)23(14-17)41-3)25(16(2)29-15)28(36)31-19-7-11-21(12-8-19)33(39)40/h4-14,26,29,32-34,37,39H,1-3H3,(H,30,35)(H,31,36).
What are the key properties of N-hydroxy-4-[[4-(4-hydroxy-3-methoxyphenyl)-5-[[4-[hydroxy(oxido)azaniumyl]phenyl]carbamoyl]-2,6-dimethyl-1,4-dihydropyridine-3-carbonyl]amino]benzeneamine oxide?
N-hydroxy-4-[[4-(4-hydroxy-3-methoxyphenyl)-5-[[4-[hydroxy(oxido)azaniumyl]phenyl]carbamoyl]-2,6-dimethyl-1,4-dihydropyridine-3-carbonyl]amino]benzeneamine oxide has a molecular weight of 563.57 g/mol, XLogP of 1.72, 8 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[4-(4-hydroxy-3-methoxyphenyl)-5-[[4-[hydroxy(oxido)azaniumyl]phenyl]carbamoyl]-2,6-dimethyl-1,4-dihydropyridine-3-carbonyl]amino]benzeneamine oxide is sourced from PubChem (CID 21141851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).