N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide

C13H10BrN3O — CID 5332577

IUPACN-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1ccc(Br)cc1)c1ccncc1
InChIInChI=1S/C13H10BrN3O/c14-12-3-1-10(2-4-12)9-16-17-13(18)11-5-7-15-8-6-11/h1-9H,(H,17,18)/b16-9+
InChIKeyWJDGJNGJDIMLRB-CXUHLZMHSA-N
MW304.15 g/mol
LogP2.61
Rot. Bonds3

About N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide

N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide (PubChem CID 5332577) has the molecular formula C13H10BrN3O and a molecular weight of 304.15 g/mol. Its IUPAC name is N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide
PubChem CID5332577
Molecular FormulaC13H10BrN3O
Molecular Weight304.15 g/mol
Exact Mass303.00
IUPAC NameN-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1ccc(Br)cc1)c1ccncc1
InChIInChI=1S/C13H10BrN3O/c14-12-3-1-10(2-4-12)9-16-17-13(18)11-5-7-15-8-6-11/h1-9H,(H,17,18)/b16-9+
InChIKeyWJDGJNGJDIMLRB-CXUHLZMHSA-N
XLogP2.61
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 52.61
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-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide
CID 603280
N-[(E)-(4-chlorophenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 21204570
4-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 7768186
N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 25251435
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 136858289
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide;hydrate
CID 21230438
3-bromo-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
CID 6870510
N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 41270292
4-amino-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
CID 5391862
4-bromo-N-[(4-ethylphenyl)methylideneamino]benzamide
CID 725933
N-[(E)-(4-bromophenyl)methylideneamino]-1-methylpyridin-1-ium-4-carboxamide iodide
CID 5334007

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide (CID 5332577) is N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide is O=C(N/N=C/c1ccc(Br)cc1)c1ccncc1.
What is the InChIKey of N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is WJDGJNGJDIMLRB-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H10BrN3O/c14-12-3-1-10(2-4-12)9-16-17-13(18)11-5-7-15-8-6-11/h1-9H,(H,17,18)/b16-9+.
What are the key properties of N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide?
N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 304.15 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 5332577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).