N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]pyridine-4-carboxamide

C11H8BrN3OS — CID 5404552

IUPACN-[(Z)-(5-bromothiophen-2-yl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C\c1ccc(Br)s1)c1ccncc1
InChIInChI=1S/C11H8BrN3OS/c12-10-2-1-9(17-10)7-14-15-11(16)8-3-5-13-6-4-8/h1-7H,(H,15,16)/b14-7-
InChIKeyRQEIIFCRPGBNDP-AUWJEWJLSA-N
MW310.18 g/mol
LogP2.67
Rot. Bonds3

About N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]pyridine-4-carboxamide

N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]pyridine-4-carboxamide (PubChem CID 5404552) has the molecular formula C11H8BrN3OS and a molecular weight of 310.18 g/mol. Its IUPAC name is N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromothiophen-2-yl)methylideneamino]pyridine-4-carboxamide
PubChem CID5404552
Molecular FormulaC11H8BrN3OS
Molecular Weight310.18 g/mol
Exact Mass308.96
IUPAC NameN-[(Z)-(5-bromothiophen-2-yl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C\c1ccc(Br)s1)c1ccncc1
InChIInChI=1S/C11H8BrN3OS/c12-10-2-1-9(17-10)7-14-15-11(16)8-3-5-13-6-4-8/h1-7H,(H,15,16)/b14-7-
InChIKeyRQEIIFCRPGBNDP-AUWJEWJLSA-N
XLogP2.67
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 52.67
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-[(E)-(5-bromothiophen-2-yl)methylideneamino]pyridine-4-carboxamide
CID 6869053
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-5-methylthiophene-3-carboxamide
CID 6021448
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3,5-dimethoxybenzamide
CID 6376855
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide
CID 5332577
N-[(5-bromothiophen-2-yl)methylideneamino]-2-chlorobenzamide
CID 715930
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3-(dimethylamino)benzamide
CID 126003739
N-[(E)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylmethylideneamino]pyridine-4-carboxamide
CID 7823065
N,N'-bis[(5-bromothiophen-2-yl)methylideneamino]hexanediamide
CID 5114030
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-cyanoacetamide
CID 5375065
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 136858289
N-[(5-bromothiophen-2-yl)methylideneamino]-5-propylthiophene-3-carboxamide
CID 5083807

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]pyridine-4-carboxamide (CID 5404552) is N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]pyridine-4-carboxamide is O=C(N/N=C\c1ccc(Br)s1)c1ccncc1.
What is the InChIKey of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is RQEIIFCRPGBNDP-AUWJEWJLSA-N. The full InChI is InChI=1S/C11H8BrN3OS/c12-10-2-1-9(17-10)7-14-15-11(16)8-3-5-13-6-4-8/h1-7H,(H,15,16)/b14-7-.
What are the key properties of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]pyridine-4-carboxamide?
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 310.18 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 5404552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).