1-methyl-6-oxo-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridine-3-carboxamide

C17H19N3O5 — CID 6868941

IUPAC1-methyl-6-oxo-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCOc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C17H19N3O5/c1-20-10-11(5-6-16(20)21)17(22)19-18-9-12-7-14(24-3)15(25-4)8-13(12)23-2/h5-10H,1-4H3,(H,19,22)/b18-9+
InChIKeyBYIKUBSLLAWFSP-GIJQJNRQSA-N
MW345.36 g/mol
LogP1.17
Rot. Bonds6

About 1-methyl-6-oxo-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridine-3-carboxamide

1-methyl-6-oxo-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 6868941) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID6868941
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name1-methyl-6-oxo-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCOc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C17H19N3O5/c1-20-10-11(5-6-16(20)21)17(22)19-18-9-12-7-14(24-3)15(25-4)8-13(12)23-2/h5-10H,1-4H3,(H,19,22)/b18-9+
InChIKeyBYIKUBSLLAWFSP-GIJQJNRQSA-N
XLogP1.17
TPSA91.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.17
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 1-methyl-6-oxo-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridine-3-carboxamide (CID 6868941) is 1-methyl-6-oxo-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridine-3-carboxamide is COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccc(=O)n(C)c1.
What is the InChIKey of 1-methyl-6-oxo-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is BYIKUBSLLAWFSP-GIJQJNRQSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-20-10-11(5-6-16(20)21)17(22)19-18-9-12-7-14(24-3)15(25-4)8-13(12)23-2/h5-10H,1-4H3,(H,19,22)/b18-9+.
What are the key properties of 1-methyl-6-oxo-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridine-3-carboxamide?
1-methyl-6-oxo-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 6868941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).