N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-4-carboxamide

C14H11Cl2N3O — CID 6941499

IUPACN-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2N3O/c1-9(12-3-2-11(15)8-13(12)16)18-19-14(20)10-4-6-17-7-5-10/h2-8H,1H3,(H,19,20)/b18-9+
InChIKeyINEJWFGCUZUZNO-GIJQJNRQSA-N
MW308.17 g/mol
LogP3.54
Rot. Bonds3

About N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-4-carboxamide

N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-4-carboxamide (PubChem CID 6941499) has the molecular formula C14H11Cl2N3O and a molecular weight of 308.17 g/mol. Its IUPAC name is N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-4-carboxamide
PubChem CID6941499
Molecular FormulaC14H11Cl2N3O
Molecular Weight308.17 g/mol
Exact Mass307.03
IUPAC NameN-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2N3O/c1-9(12-3-2-11(15)8-13(12)16)18-19-14(20)10-4-6-17-7-5-10/h2-8H,1H3,(H,19,20)/b18-9+
InChIKeyINEJWFGCUZUZNO-GIJQJNRQSA-N
XLogP3.54
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 53.54
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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Related Compounds

4-amino-N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]benzamide
CID 7955460
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 5402683
N-[(Z)-1-(3-chlorophenyl)ethylideneamino]pyridine-4-carboxamide
CID 5480352
N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5402845
N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide
CID 5402716
2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide
CID 904479
2,4-dichloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 3429251
N-[1-(2,4-dichlorophenyl)ethylideneamino]-2,4-dihydroxybenzamide
CID 3626855
N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]pyridine-3-carboxamide
CID 6216886
N-[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 137153590
4-chloro-N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 3299264
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylfuran-3-carboxamide
CID 7289797

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-4-carboxamide (CID 6941499) is N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-4-carboxamide is C/C(=N\NC(=O)c1ccncc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-4-carboxamide?
The InChIKey is INEJWFGCUZUZNO-GIJQJNRQSA-N. The full InChI is InChI=1S/C14H11Cl2N3O/c1-9(12-3-2-11(15)8-13(12)16)18-19-14(20)10-4-6-17-7-5-10/h2-8H,1H3,(H,19,20)/b18-9+.
What are the key properties of N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-4-carboxamide?
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-4-carboxamide has a molecular weight of 308.17 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 6941499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).