N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide

C18H20BrN3O4 — CID 110523358

IUPACN-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide
SMILESCCOc1c(Br)cc(/C=N\NC(=O)c2cccn(CC)c2=O)cc1OC
InChIInChI=1S/C18H20BrN3O4/c1-4-22-8-6-7-13(18(22)24)17(23)21-20-11-12-9-14(19)16(26-5-2)15(10-12)25-3/h6-11H,4-5H2,1-3H3,(H,21,23)/b20-11-
InChIKeyUMRLYSDCEWPLCY-JAIQZWGSSA-N
MW422.28 g/mol
LogP2.80
Rot. Bonds7

About N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide

N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide (PubChem CID 110523358) has the molecular formula C18H20BrN3O4 and a molecular weight of 422.28 g/mol. Its IUPAC name is N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide
PubChem CID110523358
Molecular FormulaC18H20BrN3O4
Molecular Weight422.28 g/mol
Exact Mass421.06
IUPAC NameN-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide
SMILESCCOc1c(Br)cc(/C=N\NC(=O)c2cccn(CC)c2=O)cc1OC
InChIInChI=1S/C18H20BrN3O4/c1-4-22-8-6-7-13(18(22)24)17(23)21-20-11-12-9-14(19)16(26-5-2)15(10-12)25-3/h6-11H,4-5H2,1-3H3,(H,21,23)/b20-11-
InChIKeyUMRLYSDCEWPLCY-JAIQZWGSSA-N
XLogP2.80
TPSA81.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.28
LogP ≤ 52.80
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

2-amino-N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]benzamide
CID 110512103
N-[(Z)-(3-bromo-4,5-diethoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 110523727
N-[(Z)-(3-bromo-4,5-diethoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 124605332
N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6301205
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3915998
N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide
CID 110523233
N-[(Z)-(3-bromo-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 110509515
1-ethyl-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523247
1-ethyl-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523250
ethyl 2-[2-bromo-4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]acetate
CID 17245455
N-[(Z)-(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126376714
1-benzyl-N-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523889

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide (CID 110523358) is N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide is CCOc1c(Br)cc(/C=N\NC(=O)c2cccn(CC)c2=O)cc1OC.
What is the InChIKey of N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide?
The InChIKey is UMRLYSDCEWPLCY-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H20BrN3O4/c1-4-22-8-6-7-13(18(22)24)17(23)21-20-11-12-9-14(19)16(26-5-2)15(10-12)25-3/h6-11H,4-5H2,1-3H3,(H,21,23)/b20-11-.
What are the key properties of N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide?
N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide has a molecular weight of 422.28 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 110523358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).