N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide

C13H12ClN3O2S — CID 8883245

IUPACN-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
SMILESC/C(=N/NC(=O)Cn1ccccc1=O)c1ccc(Cl)s1
InChIInChI=1S/C13H12ClN3O2S/c1-9(10-5-6-11(14)20-10)15-16-12(18)8-17-7-3-2-4-13(17)19/h2-7H,8H2,1H3,(H,16,18)/b15-9-
InChIKeyQYOWTOFAZSIGNB-DHDCSXOGSA-N
MW309.78 g/mol
LogP2.10
Rot. Bonds4

About N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide

N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide (PubChem CID 8883245) has the molecular formula C13H12ClN3O2S and a molecular weight of 309.78 g/mol. Its IUPAC name is N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
PubChem CID8883245
Molecular FormulaC13H12ClN3O2S
Molecular Weight309.78 g/mol
Exact Mass309.03
IUPAC NameN-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
SMILESC/C(=N/NC(=O)Cn1ccccc1=O)c1ccc(Cl)s1
InChIInChI=1S/C13H12ClN3O2S/c1-9(10-5-6-11(14)20-10)15-16-12(18)8-17-7-3-2-4-13(17)19/h2-7H,8H2,1H3,(H,16,18)/b15-9-
InChIKeyQYOWTOFAZSIGNB-DHDCSXOGSA-N
XLogP2.10
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-methylphenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8882847
2-(benzotriazol-1-yl)-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]acetamide
CID 6165268
2-(2-oxo-1-pyridinyl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide
CID 135702535
N-[(Z)-1-(4-iodophenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883957
N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-phenoxyacetamide
CID 6176137
N-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8884138
N-[1-(5-chlorothiophen-2-yl)ethylideneamino]pentanamide
CID 4604859
2-(benzenesulfonamido)-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]acetamide
CID 9236552
[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]urea
CID 5354251
N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 6053802
N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 135702556
2-(2-oxo-1-pyridinyl)-N-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]acetamide
CID 8884023

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide (CID 8883245) is N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide is C/C(=N/NC(=O)Cn1ccccc1=O)c1ccc(Cl)s1.
What is the InChIKey of N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide?
The InChIKey is QYOWTOFAZSIGNB-DHDCSXOGSA-N. The full InChI is InChI=1S/C13H12ClN3O2S/c1-9(10-5-6-11(14)20-10)15-16-12(18)8-17-7-3-2-4-13(17)19/h2-7H,8H2,1H3,(H,16,18)/b15-9-.
What are the key properties of N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide?
N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide has a molecular weight of 309.78 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 8883245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).