N-[(E)-1-(6-chloro-3-pyridinyl)ethylideneamino]propanamide

C10H12ClN3O — CID 14987487

IUPACN-[(E)-1-(6-chloro-3-pyridinyl)ethylideneamino]propanamide
SMILESCCC(=O)N/N=C(\C)c1ccc(Cl)nc1
InChIInChI=1S/C10H12ClN3O/c1-3-10(15)14-13-7(2)8-4-5-9(11)12-6-8/h4-6H,3H2,1-2H3,(H,14,15)/b13-7+
InChIKeyIZYCECNGLHKITM-NTUHNPAUSA-N
MW225.68 g/mol
LogP1.99
Rot. Bonds3

About N-[(E)-1-(6-chloro-3-pyridinyl)ethylideneamino]propanamide

N-[(E)-1-(6-chloro-3-pyridinyl)ethylideneamino]propanamide (PubChem CID 14987487) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is N-[(E)-1-(6-chloro-3-pyridinyl)ethylideneamino]propanamide.

Molecular Properties

Compound NameN-[(E)-1-(6-chloro-3-pyridinyl)ethylideneamino]propanamide
PubChem CID14987487
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC NameN-[(E)-1-(6-chloro-3-pyridinyl)ethylideneamino]propanamide
SMILESCCC(=O)N/N=C(\C)c1ccc(Cl)nc1
InChIInChI=1S/C10H12ClN3O/c1-3-10(15)14-13-7(2)8-4-5-9(11)12-6-8/h4-6H,3H2,1-2H3,(H,14,15)/b13-7+
InChIKeyIZYCECNGLHKITM-NTUHNPAUSA-N
XLogP1.99
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-ethylpyridine-3-carboxamide
CID 819370
N,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide
CID 3140698
N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]butanediamide
CID 3636545
[1-(6-methyl-3-pyridinyl)ethylideneamino]carbamic acid
CID 88517112
N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]propanamide
CID 17250261
N-[1-(4-chlorophenyl)ethylideneamino]acetamide
CID 4161102
N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]octanediamide
CID 3439287
3-(6-chloro-3-pyridinyl)-3-oxopropanoic acid
CID 55267358
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]dodecanamide
CID 6059481
[2-(ethylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2589643
N-[1-(4-chlorophenyl)ethylideneamino]dodecanamide
CID 3558408
6-chloro-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 61042399

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(6-chloro-3-pyridinyl)ethylideneamino]propanamide?
The IUPAC name of N-[(E)-1-(6-chloro-3-pyridinyl)ethylideneamino]propanamide (CID 14987487) is N-[(E)-1-(6-chloro-3-pyridinyl)ethylideneamino]propanamide.
What is the SMILES notation for N-[(E)-1-(6-chloro-3-pyridinyl)ethylideneamino]propanamide?
The canonical SMILES for N-[(E)-1-(6-chloro-3-pyridinyl)ethylideneamino]propanamide is CCC(=O)N/N=C(\C)c1ccc(Cl)nc1.
What is the InChIKey of N-[(E)-1-(6-chloro-3-pyridinyl)ethylideneamino]propanamide?
The InChIKey is IZYCECNGLHKITM-NTUHNPAUSA-N. The full InChI is InChI=1S/C10H12ClN3O/c1-3-10(15)14-13-7(2)8-4-5-9(11)12-6-8/h4-6H,3H2,1-2H3,(H,14,15)/b13-7+.
What are the key properties of N-[(E)-1-(6-chloro-3-pyridinyl)ethylideneamino]propanamide?
N-[(E)-1-(6-chloro-3-pyridinyl)ethylideneamino]propanamide has a molecular weight of 225.68 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(6-chloro-3-pyridinyl)ethylideneamino]propanamide is sourced from PubChem (CID 14987487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).