N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide

C16H16BrN3O4 — CID 110523471

IUPACN-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCOc1cc(Br)cc(/C=N\NC(=O)c2cccn(C)c2=O)c1OC
InChIInChI=1S/C16H16BrN3O4/c1-20-6-4-5-12(16(20)22)15(21)19-18-9-10-7-11(17)8-13(23-2)14(10)24-3/h4-9H,1-3H3,(H,19,21)/b18-9-
InChIKeyHOEFHBZGQQTJGP-NVMNQCDNSA-N
MW394.23 g/mol
LogP1.93
Rot. Bonds5

About N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide

N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 110523471) has the molecular formula C16H16BrN3O4 and a molecular weight of 394.23 g/mol. Its IUPAC name is N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID110523471
Molecular FormulaC16H16BrN3O4
Molecular Weight394.23 g/mol
Exact Mass393.03
IUPAC NameN-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCOc1cc(Br)cc(/C=N\NC(=O)c2cccn(C)c2=O)c1OC
InChIInChI=1S/C16H16BrN3O4/c1-20-6-4-5-12(16(20)22)15(21)19-18-9-10-7-11(17)8-13(23-2)14(10)24-3/h4-9H,1-3H3,(H,19,21)/b18-9-
InChIKeyHOEFHBZGQQTJGP-NVMNQCDNSA-N
XLogP1.93
TPSA81.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523448
N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523466
N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 110505804
N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523579
N-[(E)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
CID 110526746
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 110523654
N-[(Z)-(2-chlorophenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523599
N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 110523765
1-methyl-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110523602
2-amino-N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136926350
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 137061149
N-[(Z)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523495

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide (CID 110523471) is N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide is COc1cc(Br)cc(/C=N\NC(=O)c2cccn(C)c2=O)c1OC.
What is the InChIKey of N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is HOEFHBZGQQTJGP-NVMNQCDNSA-N. The full InChI is InChI=1S/C16H16BrN3O4/c1-20-6-4-5-12(16(20)22)15(21)19-18-9-10-7-11(17)8-13(23-2)14(10)24-3/h4-9H,1-3H3,(H,19,21)/b18-9-.
What are the key properties of N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide?
N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 394.23 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 110523471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).