N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]pyridine-3-carboxamide

C14H11Cl2N3O — CID 6216886

IUPACN-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]pyridine-3-carboxamide
SMILESC/C(=N/NC(=O)c1cccnc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11Cl2N3O/c1-9(12-7-11(15)4-5-13(12)16)18-19-14(20)10-3-2-6-17-8-10/h2-8H,1H3,(H,19,20)/b18-9-
InChIKeyGSRMJEYUHSAUJB-NVMNQCDNSA-N
MW308.17 g/mol
LogP3.54
Rot. Bonds3

About N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]pyridine-3-carboxamide

N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]pyridine-3-carboxamide (PubChem CID 6216886) has the molecular formula C14H11Cl2N3O and a molecular weight of 308.17 g/mol. Its IUPAC name is N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]pyridine-3-carboxamide
PubChem CID6216886
Molecular FormulaC14H11Cl2N3O
Molecular Weight308.17 g/mol
Exact Mass307.03
IUPAC NameN-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]pyridine-3-carboxamide
SMILESC/C(=N/NC(=O)c1cccnc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11Cl2N3O/c1-9(12-7-11(15)4-5-13(12)16)18-19-14(20)10-3-2-6-17-8-10/h2-8H,1H3,(H,19,20)/b18-9-
InChIKeyGSRMJEYUHSAUJB-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-[(Z)-1-(2,4,5-trimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059755
N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide
CID 6073439
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 135889728
N-[4-chloro-2-[[(E)-1-(4-methylphenyl)ethylideneamino]carbamoyl]phenyl]pyridine-3-carboxamide
CID 58712775
N-[1-[4-[(4-chlorophenyl)carbamoylamino]phenyl]ethylideneamino]pyridine-3-carboxamide
CID 3265838
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-4-carboxamide
CID 6941499
N-[1-(3,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide
CID 4836955
N-[(Z)-1-(3-chlorophenyl)propylideneamino]pyridine-3-carboxamide
CID 6241485
N-[1-(3,4-dimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4683801
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 135578375
N-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059749
N-[1-(3-methoxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4227241

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]pyridine-3-carboxamide (CID 6216886) is N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]pyridine-3-carboxamide is C/C(=N/NC(=O)c1cccnc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]pyridine-3-carboxamide?
The InChIKey is GSRMJEYUHSAUJB-NVMNQCDNSA-N. The full InChI is InChI=1S/C14H11Cl2N3O/c1-9(12-7-11(15)4-5-13(12)16)18-19-14(20)10-3-2-6-17-8-10/h2-8H,1H3,(H,19,20)/b18-9-.
What are the key properties of N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]pyridine-3-carboxamide?
N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]pyridine-3-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-(2,5-dichlorophenyl)ethylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 6216886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).