2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide

C17H16BrN5O3 — CID 94848291

IUPAC2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
SMILESCOCc1c(Br)c(C)nc(OCC(=O)N/N=C\c2ccncc2)c1C#N
InChIInChI=1S/C17H16BrN5O3/c1-11-16(18)14(9-25-2)13(7-19)17(22-11)26-10-15(24)23-21-8-12-3-5-20-6-4-12/h3-6,8H,9-10H2,1-2H3,(H,23,24)/b21-8-
InChIKeyBFFFGCZVLDKWGT-WNFQYIGGSA-N
MW418.25 g/mol
LogP2.09
Rot. Bonds7

About 2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide

2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide (PubChem CID 94848291) has the molecular formula C17H16BrN5O3 and a molecular weight of 418.25 g/mol. Its IUPAC name is 2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
PubChem CID94848291
Molecular FormulaC17H16BrN5O3
Molecular Weight418.25 g/mol
Exact Mass417.04
IUPAC Name2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
SMILESCOCc1c(Br)c(C)nc(OCC(=O)N/N=C\c2ccncc2)c1C#N
InChIInChI=1S/C17H16BrN5O3/c1-11-16(18)14(9-25-2)13(7-19)17(22-11)26-10-15(24)23-21-8-12-3-5-20-6-4-12/h3-6,8H,9-10H2,1-2H3,(H,23,24)/b21-8-
InChIKeyBFFFGCZVLDKWGT-WNFQYIGGSA-N
XLogP2.09
TPSA109.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(Z)-pyridin-4-ylmethylideneamino]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-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135446733
2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide
CID 135957311
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetamide
CID 71694519
2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 135615474
2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide
CID 126085637
2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 124544307
2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]acetamide
CID 126199740
2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]acetamide
CID 124544308
2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 92847226
2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]acetamide
CID 135615771
2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(Z)-(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 99663360
2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-(3-iodo-5-methoxy-4-propoxyphenyl)methylideneamino]acetamide
CID 126015207

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide?
The IUPAC name of 2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide (CID 94848291) is 2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide?
The canonical SMILES for 2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide is COCc1c(Br)c(C)nc(OCC(=O)N/N=C\c2ccncc2)c1C#N.
What is the InChIKey of 2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide?
The InChIKey is BFFFGCZVLDKWGT-WNFQYIGGSA-N. The full InChI is InChI=1S/C17H16BrN5O3/c1-11-16(18)14(9-25-2)13(7-19)17(22-11)26-10-15(24)23-21-8-12-3-5-20-6-4-12/h3-6,8H,9-10H2,1-2H3,(H,23,24)/b21-8-.
What are the key properties of 2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide?
2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide has a molecular weight of 418.25 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide is sourced from PubChem (CID 94848291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).