N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]pyridine-4-carboxamide

C14H12BrN3O — CID 25251435

IUPACN-[(E)-(3-bromo-4-methylphenyl)methylideneamino]pyridine-4-carboxamide
SMILESCc1ccc(/C=N/NC(=O)c2ccncc2)cc1Br
InChIInChI=1S/C14H12BrN3O/c1-10-2-3-11(8-13(10)15)9-17-18-14(19)12-4-6-16-7-5-12/h2-9H,1H3,(H,18,19)/b17-9+
InChIKeyCCVZNBPZMNEFKH-RQZCQDPDSA-N
MW318.17 g/mol
LogP2.92
Rot. Bonds3

About N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]pyridine-4-carboxamide

N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]pyridine-4-carboxamide (PubChem CID 25251435) has the molecular formula C14H12BrN3O and a molecular weight of 318.17 g/mol. Its IUPAC name is N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-bromo-4-methylphenyl)methylideneamino]pyridine-4-carboxamide
PubChem CID25251435
Molecular FormulaC14H12BrN3O
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC NameN-[(E)-(3-bromo-4-methylphenyl)methylideneamino]pyridine-4-carboxamide
SMILESCc1ccc(/C=N/NC(=O)c2ccncc2)cc1Br
InChIInChI=1S/C14H12BrN3O/c1-10-2-3-11(8-13(10)15)9-17-18-14(19)12-4-6-16-7-5-12/h2-9H,1H3,(H,18,19)/b17-9+
InChIKeyCCVZNBPZMNEFKH-RQZCQDPDSA-N
XLogP2.92
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 52.92
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-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 136858289
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 41270292
N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide
CID 5332577
N-[(E)-(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 6880126
N-[(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690990
N-[(E)-[1-(3-bromo-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]pyridine-4-carboxamide
CID 21370610
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 135604377
N-[(Z)-(3-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-4-carboxamide
CID 126068365
3-bromo-N-[(4-fluorophenyl)methylideneamino]-4-methylbenzamide
CID 922091
N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 135643394
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;methanol
CID 139073608

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]pyridine-4-carboxamide (CID 25251435) is N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]pyridine-4-carboxamide is Cc1ccc(/C=N/NC(=O)c2ccncc2)cc1Br.
What is the InChIKey of N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is CCVZNBPZMNEFKH-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H12BrN3O/c1-10-2-3-11(8-13(10)15)9-17-18-14(19)12-4-6-16-7-5-12/h2-9H,1H3,(H,18,19)/b17-9+.
What are the key properties of N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]pyridine-4-carboxamide?
N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 318.17 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 25251435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).