N-[(Z)-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-3-carboxamide

C19H22N4O3 — CID 126107154

IUPACN-[(Z)-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCOc1cc(N2CCCC2)c(OC)cc1/C=N\NC(=O)c1cccnc1
InChIInChI=1S/C19H22N4O3/c1-25-17-11-16(23-8-3-4-9-23)18(26-2)10-15(17)13-21-22-19(24)14-6-5-7-20-12-14/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,22,24)/b21-13-
InChIKeyWYIUJZYZICKCLX-BKUYFWCQSA-N
MW354.41 g/mol
LogP2.46
Rot. Bonds6

About N-[(Z)-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-3-carboxamide

N-[(Z)-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 126107154) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[(Z)-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID126107154
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[(Z)-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCOc1cc(N2CCCC2)c(OC)cc1/C=N\NC(=O)c1cccnc1
InChIInChI=1S/C19H22N4O3/c1-25-17-11-16(23-8-3-4-9-23)18(26-2)10-15(17)13-21-22-19(24)14-6-5-7-20-12-14/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,22,24)/b21-13-
InChIKeyWYIUJZYZICKCLX-BKUYFWCQSA-N
XLogP2.46
TPSA76.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.46
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)-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)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

Related Compounds

N-[(E)-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]thiophene-2-carboxamide
CID 126114114
N-[(5-chloro-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 689201
N-[(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-3-carboxamide
CID 3478213
N-[(E)-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126252924
N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135781803
N-[(3-nitro-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-3-carboxamide
CID 4836900
5-chloro-N-[(Z)-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 126118877
N-[(E)-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 126118156
N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-3-carboxamide;methanol
CID 139204410
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 136777408
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 1124780
N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]pyridine-3-carboxamide
CID 6879261

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-3-carboxamide (CID 126107154) is N-[(Z)-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-3-carboxamide is COc1cc(N2CCCC2)c(OC)cc1/C=N\NC(=O)c1cccnc1.
What is the InChIKey of N-[(Z)-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is WYIUJZYZICKCLX-BKUYFWCQSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-25-17-11-16(23-8-3-4-9-23)18(26-2)10-15(17)13-21-22-19(24)14-6-5-7-20-12-14/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,22,24)/b21-13-.
What are the key properties of N-[(Z)-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-3-carboxamide?
N-[(Z)-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 126107154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).