N-[(E)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]pyridine-4-carboxamide

C21H17ClN4O2 — CID 40568250

IUPACN-[(E)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H17ClN4O2/c1-14(25-26-21(28)17-10-12-23-13-11-17)15-4-8-19(9-5-15)24-20(27)16-2-6-18(22)7-3-16/h2-13H,1H3,(H,24,27)(H,26,28)/b25-14+
InChIKeyXPXVWVJSARKJSH-AFUMVMLFSA-N
MW392.85 g/mol
LogP4.14
Rot. Bonds5

About N-[(E)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]pyridine-4-carboxamide

N-[(E)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]pyridine-4-carboxamide (PubChem CID 40568250) has the molecular formula C21H17ClN4O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is N-[(E)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]pyridine-4-carboxamide
PubChem CID40568250
Molecular FormulaC21H17ClN4O2
Molecular Weight392.85 g/mol
Exact Mass392.10
IUPAC NameN-[(E)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H17ClN4O2/c1-14(25-26-21(28)17-10-12-23-13-11-17)15-4-8-19(9-5-15)24-20(27)16-2-6-18(22)7-3-16/h2-13H,1H3,(H,24,27)(H,26,28)/b25-14+
InChIKeyXPXVWVJSARKJSH-AFUMVMLFSA-N
XLogP4.14
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(E)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]pyridine-4-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 N-[(E)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]pyridine-4-carboxamide (CID 40568250) is N-[(E)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]pyridine-4-carboxamide is C/C(=N\NC(=O)c1ccncc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(E)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]pyridine-4-carboxamide?
The InChIKey is XPXVWVJSARKJSH-AFUMVMLFSA-N. The full InChI is InChI=1S/C21H17ClN4O2/c1-14(25-26-21(28)17-10-12-23-13-11-17)15-4-8-19(9-5-15)24-20(27)16-2-6-18(22)7-3-16/h2-13H,1H3,(H,24,27)(H,26,28)/b25-14+.
What are the key properties of N-[(E)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]pyridine-4-carboxamide?
N-[(E)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]pyridine-4-carboxamide has a molecular weight of 392.85 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 40568250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).