N-[(4-cyanophenyl)methoxy]-2-[(6-oxo-1H-pyridin-3-yl)methylamino]benzamide

C21H18N4O3 — CID 58989898

IUPACN-[(4-cyanophenyl)methoxy]-2-[(6-oxo-1H-pyridin-3-yl)methylamino]benzamide
SMILESN#Cc1ccc(CONC(=O)c2ccccc2NCc2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C21H18N4O3/c22-11-15-5-7-16(8-6-15)14-28-25-21(27)18-3-1-2-4-19(18)23-12-17-9-10-20(26)24-13-17/h1-10,13,23H,12,14H2,(H,24,26)(H,25,27)
InChIKeyJRKDNLGEXKUKQO-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.72
Rot. Bonds7

About N-[(4-cyanophenyl)methoxy]-2-[(6-oxo-1H-pyridin-3-yl)methylamino]benzamide

N-[(4-cyanophenyl)methoxy]-2-[(6-oxo-1H-pyridin-3-yl)methylamino]benzamide (PubChem CID 58989898) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methoxy]-2-[(6-oxo-1H-pyridin-3-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methoxy]-2-[(6-oxo-1H-pyridin-3-yl)methylamino]benzamide
PubChem CID58989898
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-[(4-cyanophenyl)methoxy]-2-[(6-oxo-1H-pyridin-3-yl)methylamino]benzamide
SMILESN#Cc1ccc(CONC(=O)c2ccccc2NCc2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C21H18N4O3/c22-11-15-5-7-16(8-6-15)14-28-25-21(27)18-3-1-2-4-19(18)23-12-17-9-10-20(26)24-13-17/h1-10,13,23H,12,14H2,(H,24,26)(H,25,27)
InChIKeyJRKDNLGEXKUKQO-UHFFFAOYSA-N
XLogP2.72
TPSA107.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(4-cyanophenyl)methoxy]-2-[(6-oxo-1H-pyridin-3-yl)methylamino]benzamide 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 N-[(4-cyanophenyl)methoxy]-2-[(6-oxo-1H-pyridin-3-yl)methylamino]benzamide?
The IUPAC name of N-[(4-cyanophenyl)methoxy]-2-[(6-oxo-1H-pyridin-3-yl)methylamino]benzamide (CID 58989898) is N-[(4-cyanophenyl)methoxy]-2-[(6-oxo-1H-pyridin-3-yl)methylamino]benzamide.
What is the SMILES notation for N-[(4-cyanophenyl)methoxy]-2-[(6-oxo-1H-pyridin-3-yl)methylamino]benzamide?
The canonical SMILES for N-[(4-cyanophenyl)methoxy]-2-[(6-oxo-1H-pyridin-3-yl)methylamino]benzamide is N#Cc1ccc(CONC(=O)c2ccccc2NCc2ccc(=O)[nH]c2)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methoxy]-2-[(6-oxo-1H-pyridin-3-yl)methylamino]benzamide?
The InChIKey is JRKDNLGEXKUKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c22-11-15-5-7-16(8-6-15)14-28-25-21(27)18-3-1-2-4-19(18)23-12-17-9-10-20(26)24-13-17/h1-10,13,23H,12,14H2,(H,24,26)(H,25,27).
What are the key properties of N-[(4-cyanophenyl)methoxy]-2-[(6-oxo-1H-pyridin-3-yl)methylamino]benzamide?
N-[(4-cyanophenyl)methoxy]-2-[(6-oxo-1H-pyridin-3-yl)methylamino]benzamide has a molecular weight of 374.40 g/mol, XLogP of 2.72, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methoxy]-2-[(6-oxo-1H-pyridin-3-yl)methylamino]benzamide is sourced from PubChem (CID 58989898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).