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

C13H9Cl2N3O — CID 6861539

IUPACN-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccncc1
InChIInChI=1S/C13H9Cl2N3O/c14-11-2-1-10(12(15)7-11)8-17-18-13(19)9-3-5-16-6-4-9/h1-8H,(H,18,19)/b17-8+
InChIKeyMCYZXLQRWHJGIT-CAOOACKPSA-N
MW294.14 g/mol
LogP3.15
Rot. Bonds3

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

N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-4-carboxamide (PubChem CID 6861539) has the molecular formula C13H9Cl2N3O and a molecular weight of 294.14 g/mol. Its IUPAC name is N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-4-carboxamide
PubChem CID6861539
Molecular FormulaC13H9Cl2N3O
Molecular Weight294.14 g/mol
Exact Mass293.01
IUPAC NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccncc1
InChIInChI=1S/C13H9Cl2N3O/c14-11-2-1-10(12(15)7-11)8-17-18-13(19)9-3-5-16-6-4-9/h1-8H,(H,18,19)/b17-8+
InChIKeyMCYZXLQRWHJGIT-CAOOACKPSA-N
XLogP3.15
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-4-carboxamide (CID 6861539) is N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-4-carboxamide is O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccncc1.
What is the InChIKey of N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is MCYZXLQRWHJGIT-CAOOACKPSA-N. The full InChI is InChI=1S/C13H9Cl2N3O/c14-11-2-1-10(12(15)7-11)8-17-18-13(19)9-3-5-16-6-4-9/h1-8H,(H,18,19)/b17-8+.
What are the key properties of N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-4-carboxamide?
N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 294.14 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 6861539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).