N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide

C18H16BrN5O6 — CID 136700931

IUPACN-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide
SMILESCOCc1cc(C)n(CC(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c(=O)c1C#N
InChIInChI=1S/C18H16BrN5O6/c1-10-3-12(9-30-2)14(6-20)18(27)23(10)8-16(25)22-21-7-11-4-13(19)5-15(17(11)26)24(28)29/h3-5,7,26H,8-9H2,1-2H3,(H,22,25)/b21-7+
InChIKeyOTJNZQKKOFUVFS-QPSGOUHRSA-N
MW478.26 g/mol
LogP1.70
Rot. Bonds7

About N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide

N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide (PubChem CID 136700931) has the molecular formula C18H16BrN5O6 and a molecular weight of 478.26 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide
PubChem CID136700931
Molecular FormulaC18H16BrN5O6
Molecular Weight478.26 g/mol
Exact Mass477.03
IUPAC NameN-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide
SMILESCOCc1cc(C)n(CC(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c(=O)c1C#N
InChIInChI=1S/C18H16BrN5O6/c1-10-3-12(9-30-2)14(6-20)18(27)23(10)8-16(25)22-21-7-11-4-13(19)5-15(17(11)26)24(28)29/h3-5,7,26H,8-9H2,1-2H3,(H,22,25)/b21-7+
InChIKeyOTJNZQKKOFUVFS-QPSGOUHRSA-N
XLogP1.70
TPSA159.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.26
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide 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

2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide
CID 126003224
2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]acetamide
CID 3682645
2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 91970293
2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(E)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 75123791
2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]acetamide
CID 98005129
N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 136844889
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(2,5-dimethylphenyl)acetamide
CID 137180751
N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 136800675
2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 137171995
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 135579099
methyl 4-[5-[(E)-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 126011575
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 135614429

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide (CID 136700931) is N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide is COCc1cc(C)n(CC(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c(=O)c1C#N.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide?
The InChIKey is OTJNZQKKOFUVFS-QPSGOUHRSA-N. The full InChI is InChI=1S/C18H16BrN5O6/c1-10-3-12(9-30-2)14(6-20)18(27)23(10)8-16(25)22-21-7-11-4-13(19)5-15(17(11)26)24(28)29/h3-5,7,26H,8-9H2,1-2H3,(H,22,25)/b21-7+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide?
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide has a molecular weight of 478.26 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 136700931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).