N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-pyridin-3-ylacetamide

C12H10BrN3OS — CID 5398291

IUPACN-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)N/N=C\c1cc(Br)cs1
InChIInChI=1S/C12H10BrN3OS/c13-10-5-11(18-8-10)7-15-16-12(17)4-9-2-1-3-14-6-9/h1-3,5-8H,4H2,(H,16,17)/b15-7-
InChIKeyDSKXLMKKTKMHFN-CHHVJCJISA-N
MW324.20 g/mol
LogP2.60
Rot. Bonds4

About N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-pyridin-3-ylacetamide

N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-pyridin-3-ylacetamide (PubChem CID 5398291) has the molecular formula C12H10BrN3OS and a molecular weight of 324.20 g/mol. Its IUPAC name is N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-pyridin-3-ylacetamide
PubChem CID5398291
Molecular FormulaC12H10BrN3OS
Molecular Weight324.20 g/mol
Exact Mass322.97
IUPAC NameN-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)N/N=C\c1cc(Br)cs1
InChIInChI=1S/C12H10BrN3OS/c13-10-5-11(18-8-10)7-15-16-12(17)4-9-2-1-3-14-6-9/h1-3,5-8H,4H2,(H,16,17)/b15-7-
InChIKeyDSKXLMKKTKMHFN-CHHVJCJISA-N
XLogP2.60
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-(4-bromothiophen-2-yl)methylideneamino]-2-phenylacetamide
CID 6088161
N-[(4-bromothiophen-2-yl)methylideneamino]pyrazine-2-carboxamide
CID 71833431
N-[(4-chlorophenyl)methylideneamino]-2-pyridin-3-ylacetamide
CID 727974
1-(4-bromothiophen-2-yl)-3-pyridin-3-ylpropan-2-one
CID 62621207
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-pyridin-3-ylacetamide
CID 19167941
N-[(Z)-(3-nitrophenyl)methylideneamino]-2-pyridin-3-ylacetamide
CID 5398288
[(4-bromothiophen-2-yl)methylideneamino]urea
CID 759069
N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 41271343
1-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
CID 44507406
N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 42995414
N-(pyridin-3-ylmethylideneamino)-2-thiophen-2-ylacetamide
CID 696915
N'-[(E)-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide
CID 126002051

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-pyridin-3-ylacetamide (CID 5398291) is N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-pyridin-3-ylacetamide is O=C(Cc1cccnc1)N/N=C\c1cc(Br)cs1.
What is the InChIKey of N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-pyridin-3-ylacetamide?
The InChIKey is DSKXLMKKTKMHFN-CHHVJCJISA-N. The full InChI is InChI=1S/C12H10BrN3OS/c13-10-5-11(18-8-10)7-15-16-12(17)4-9-2-1-3-14-6-9/h1-3,5-8H,4H2,(H,16,17)/b15-7-.
What are the key properties of N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-pyridin-3-ylacetamide?
N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-pyridin-3-ylacetamide has a molecular weight of 324.20 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 5398291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).