N-[(Z)-1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-3-carboxamide

C17H19N3O4 — CID 5403853

IUPACN-[(Z)-1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-3-carboxamide
SMILESCOc1ccc(/C(C)=N\NC(=O)c2cccnc2)c(OC)c1OC
InChIInChI=1S/C17H19N3O4/c1-11(19-20-17(21)12-6-5-9-18-10-12)13-7-8-14(22-2)16(24-4)15(13)23-3/h5-10H,1-4H3,(H,20,21)/b19-11-
InChIKeyNDJVDASZZHDKLT-ODLFYWEKSA-N
MW329.36 g/mol
LogP2.26
Rot. Bonds6

About N-[(Z)-1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-3-carboxamide

N-[(Z)-1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-3-carboxamide (PubChem CID 5403853) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[(Z)-1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-3-carboxamide
PubChem CID5403853
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-[(Z)-1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-3-carboxamide
SMILESCOc1ccc(/C(C)=N\NC(=O)c2cccnc2)c(OC)c1OC
InChIInChI=1S/C17H19N3O4/c1-11(19-20-17(21)12-6-5-9-18-10-12)13-7-8-14(22-2)16(24-4)15(13)23-3/h5-10H,1-4H3,(H,20,21)/b19-11-
InChIKeyNDJVDASZZHDKLT-ODLFYWEKSA-N
XLogP2.26
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.26
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'}

Analyze N-[(Z)-1-(2,3,4-trimethoxyphenyl)ethylideneamino]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

Related Compounds

N-[(Z)-1-(2,4,5-trimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059755
N-[1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide
CID 768102
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 135889728
N-[1-(3-methoxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4227241
N-[1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 842406
diethyl-[[2-methoxy-5-[(Z)-C-methyl-N-(pyridine-3-carbonylamino)carbonimidoyl]phenyl]methyl]azanium
CID 9059844
N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]pyridine-3-carboxamide
CID 6216886
N-[1-(3,4-dimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4683801
N-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059749
N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]pyridine-4-carboxamide
CID 7937174
N'-[(2,3,4-trimethoxyphenyl)methyl]pyridine-3-carbohydrazide
CID 155927926
N-[1-(4-tert-butylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4836871

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-3-carboxamide (CID 5403853) is N-[(Z)-1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-3-carboxamide is COc1ccc(/C(C)=N\NC(=O)c2cccnc2)c(OC)c1OC.
What is the InChIKey of N-[(Z)-1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-3-carboxamide?
The InChIKey is NDJVDASZZHDKLT-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-11(19-20-17(21)12-6-5-9-18-10-12)13-7-8-14(22-2)16(24-4)15(13)23-3/h5-10H,1-4H3,(H,20,21)/b19-11-.
What are the key properties of N-[(Z)-1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-3-carboxamide?
N-[(Z)-1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-3-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 5403853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).