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

C14H11Cl2N3O — CID 5402845

IUPACN-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-2-carboxamide
SMILESC/C(=N/NC(=O)c1ccccn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2N3O/c1-9(11-6-5-10(15)8-12(11)16)18-19-14(20)13-4-2-3-7-17-13/h2-8H,1H3,(H,19,20)/b18-9-
InChIKeyCWQMJGHZLOEPSI-NVMNQCDNSA-N
MW308.17 g/mol
LogP3.54
Rot. Bonds3

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

N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-2-carboxamide (PubChem CID 5402845) has the molecular formula C14H11Cl2N3O and a molecular weight of 308.17 g/mol. Its IUPAC name is N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-2-carboxamide
PubChem CID5402845
Molecular FormulaC14H11Cl2N3O
Molecular Weight308.17 g/mol
Exact Mass307.03
IUPAC NameN-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-2-carboxamide
SMILESC/C(=N/NC(=O)c1ccccn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2N3O/c1-9(11-6-5-10(15)8-12(11)16)18-19-14(20)13-4-2-3-7-17-13/h2-8H,1H3,(H,19,20)/b18-9-
InChIKeyCWQMJGHZLOEPSI-NVMNQCDNSA-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

N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 5402683
5-chloro-2-hydroxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 5416440
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-4-carboxamide
CID 6941499
acetic acid;N-[1-(2,4-dichlorophenyl)ethylideneamino]pyridin-2-amine
CID 73243218
N-[(E)-1-(2-fluoro-4-phenylphenyl)ethylideneamino]pyridine-2-carboxamide
CID 6941486
N-[(Z)-1-(2,6-dichloro-3-fluorophenyl)ethylideneamino]pyridine-2-carboxamide
CID 8971589
N-[(Z)-1-(2-chlorophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 5422251
3,4-dichloro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 773914
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]pyridine-2-carboxamide
CID 5158930
N-[1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide
CID 768102
N-[1-(2,4-dichlorophenyl)ethylideneamino]-2,4-dihydroxybenzamide
CID 3626855
4-amino-N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]benzamide
CID 7955460

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-2-carboxamide (CID 5402845) is N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-2-carboxamide is C/C(=N/NC(=O)c1ccccn1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-2-carboxamide?
The InChIKey is CWQMJGHZLOEPSI-NVMNQCDNSA-N. The full InChI is InChI=1S/C14H11Cl2N3O/c1-9(11-6-5-10(15)8-12(11)16)18-19-14(20)13-4-2-3-7-17-13/h2-8H,1H3,(H,19,20)/b18-9-.
What are the key properties of N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-2-carboxamide?
N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-2-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-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 5402845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).