2-[4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-ethoxyphenoxy]-N-phenylacetamide

C23H24N4O4 — CID 9024774

IUPAC2-[4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-ethoxyphenoxy]-N-phenylacetamide
SMILESCCOc1cc(/C=N\n2c(N)cc(C)cc2=O)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C23H24N4O4/c1-3-30-20-13-17(14-25-27-21(24)11-16(2)12-23(27)29)9-10-19(20)31-15-22(28)26-18-7-5-4-6-8-18/h4-14H,3,15,24H2,1-2H3,(H,26,28)/b25-14-
InChIKeyYRXXZHCKBKAZHS-QFEZKATASA-N
MW420.47 g/mol
LogP3.04
Rot. Bonds8

About 2-[4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-ethoxyphenoxy]-N-phenylacetamide

2-[4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-ethoxyphenoxy]-N-phenylacetamide (PubChem CID 9024774) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-[4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-ethoxyphenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-ethoxyphenoxy]-N-phenylacetamide
PubChem CID9024774
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name2-[4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-ethoxyphenoxy]-N-phenylacetamide
SMILESCCOc1cc(/C=N\n2c(N)cc(C)cc2=O)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C23H24N4O4/c1-3-30-20-13-17(14-25-27-21(24)11-16(2)12-23(27)29)9-10-19(20)31-15-22(28)26-18-7-5-4-6-8-18/h4-14H,3,15,24H2,1-2H3,(H,26,28)/b25-14-
InChIKeyYRXXZHCKBKAZHS-QFEZKATASA-N
XLogP3.04
TPSA107.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-amino-1-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024571
2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide
CID 844203
2-[(3,4-diethoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 3392833
ethyl 4-[[2-[2-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetyl]amino]benzoate
CID 169383326
N-(4-ethoxyphenyl)-2-[2-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide
CID 169383482
2-[2-ethoxy-4-[[4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-3-yl]iminomethyl]phenoxy]-N-phenylacetamide
CID 126286007
2-[2-ethoxy-4-[(2,4,6-trioxo-1,3-diphenyl-1,3-diazinan-5-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 126011203
N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 126172656
2-[4-[(E)-3-(1,3-dimethylpyrazol-4-yl)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]-N-phenylacetamide
CID 19556620
2-[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 4682317
N-[[4-(2-anilino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 3517800
2-[4-[(E)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 126020298

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-ethoxyphenoxy]-N-phenylacetamide?
The IUPAC name of 2-[4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-ethoxyphenoxy]-N-phenylacetamide (CID 9024774) is 2-[4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-ethoxyphenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-ethoxyphenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-ethoxyphenoxy]-N-phenylacetamide is CCOc1cc(/C=N\n2c(N)cc(C)cc2=O)ccc1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-ethoxyphenoxy]-N-phenylacetamide?
The InChIKey is YRXXZHCKBKAZHS-QFEZKATASA-N. The full InChI is InChI=1S/C23H24N4O4/c1-3-30-20-13-17(14-25-27-21(24)11-16(2)12-23(27)29)9-10-19(20)31-15-22(28)26-18-7-5-4-6-8-18/h4-14H,3,15,24H2,1-2H3,(H,26,28)/b25-14-.
What are the key properties of 2-[4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-ethoxyphenoxy]-N-phenylacetamide?
2-[4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-ethoxyphenoxy]-N-phenylacetamide has a molecular weight of 420.47 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-ethoxyphenoxy]-N-phenylacetamide is sourced from PubChem (CID 9024774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).