N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide

C26H18Cl4N6O2 — CID 139068920

IUPACN-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccccn1.O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccccn1
InChIInChI=1S/2C13H9Cl2N3O/c2*14-10-5-4-9(11(15)7-10)8-17-18-13(19)12-3-1-2-6-16-12/h2*1-8H,(H,18,19)/b2*17-8+
InChIKeyUWOAUTCSVCVZAR-QWMINLNJSA-N
MW588.28 g/mol
LogP6.30
Rot. Bonds6

About N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide

N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide (PubChem CID 139068920) has the molecular formula C26H18Cl4N6O2 and a molecular weight of 588.28 g/mol. Its IUPAC name is N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide
PubChem CID139068920
Molecular FormulaC26H18Cl4N6O2
Molecular Weight588.28 g/mol
Exact Mass586.02
IUPAC NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccccn1.O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccccn1
InChIInChI=1S/2C13H9Cl2N3O/c2*14-10-5-4-9(11(15)7-10)8-17-18-13(19)12-3-1-2-6-16-12/h2*1-8H,(H,18,19)/b2*17-8+
InChIKeyUWOAUTCSVCVZAR-QWMINLNJSA-N
XLogP6.30
TPSA108.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.28
LogP ≤ 56.30
H-Bond Donors ≤ 52
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-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-2-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-[(2,4-dichlorophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide
CID 4264071
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
N-[(E)-[5-[(2,4-dichlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]pyridine-2-carboxamide
CID 155290954
N-[(2-fluorophenyl)methylideneamino]pyridine-2-carboxamide
CID 847584
1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 6894297
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide
CID 6299939
N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide
CID 760228
N-[(E)-(3-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6887460
[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 760222
N-[(2-chloro-6-fluorophenyl)methylideneamino]pyridine-2-carboxamide
CID 847586
N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 136794117

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide (CID 139068920) is N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide is O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccccn1.O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccccn1.
What is the InChIKey of N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide?
The InChIKey is UWOAUTCSVCVZAR-QWMINLNJSA-N. The full InChI is InChI=1S/2C13H9Cl2N3O/c2*14-10-5-4-9(11(15)7-10)8-17-18-13(19)12-3-1-2-6-16-12/h2*1-8H,(H,18,19)/b2*17-8+.
What are the key properties of N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide?
N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide has a molecular weight of 588.28 g/mol, XLogP of 6.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 139068920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).