methyl 4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]benzoate

C15H15N3O3 — CID 9024468

IUPACmethyl 4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]benzoate
SMILESCOC(=O)c1ccc(/C=N\n2c(N)cc(C)cc2=O)cc1
InChIInChI=1S/C15H15N3O3/c1-10-7-13(16)18(14(19)8-10)17-9-11-3-5-12(6-4-11)15(20)21-2/h3-9H,16H2,1-2H3/b17-9-
InChIKeyXMYRZZZFWLBNNW-MFOYZWKCSA-N
MW285.30 g/mol
LogP1.41
Rot. Bonds3

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

methyl 4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]benzoate (PubChem CID 9024468) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is methyl 4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]benzoate
PubChem CID9024468
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Namemethyl 4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]benzoate
SMILESCOC(=O)c1ccc(/C=N\n2c(N)cc(C)cc2=O)cc1
InChIInChI=1S/C15H15N3O3/c1-10-7-13(16)18(14(19)8-10)17-9-11-3-5-12(6-4-11)15(20)21-2/h3-9H,16H2,1-2H3/b17-9-
InChIKeyXMYRZZZFWLBNNW-MFOYZWKCSA-N
XLogP1.41
TPSA86.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]benzoate with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-[[4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]phenoxy]methyl]benzoate
CID 9024504
6-amino-1-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024414
methyl 4-[(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]benzoate
CID 760472
6-amino-4-methyl-1-[(Z)-(4-pentoxyphenyl)methylideneamino]pyridin-2-one
CID 9024577
6-amino-4-methyl-1-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-one
CID 9024377
2-[4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-ethoxyphenoxy]-N-phenylacetamide
CID 9024774
6-amino-1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one
CID 23376474
methyl 4-[(Z)-[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate
CID 5424838
methyl 4-[(E)-[2-amino-3-(3-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-1-yl]iminomethyl]benzoate
CID 6890407
methyl 4-[[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate
CID 3817738
methyl 4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)iminomethyl]benzoate
CID 6909012
methyl 4-[(Z)-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]benzoate
CID 5435001

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]benzoate?
The IUPAC name of methyl 4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]benzoate (CID 9024468) is methyl 4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]benzoate.
What is the SMILES notation for methyl 4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]benzoate?
The canonical SMILES for methyl 4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]benzoate is COC(=O)c1ccc(/C=N\n2c(N)cc(C)cc2=O)cc1.
What is the InChIKey of methyl 4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]benzoate?
The InChIKey is XMYRZZZFWLBNNW-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10-7-13(16)18(14(19)8-10)17-9-11-3-5-12(6-4-11)15(20)21-2/h3-9H,16H2,1-2H3/b17-9-.
What are the key properties of methyl 4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]benzoate?
methyl 4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]benzoate has a molecular weight of 285.30 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]benzoate is sourced from PubChem (CID 9024468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).