5-bromo-N-[(3,4-dimethoxyphenyl)methylideneamino]pyridine-3-carboxamide

C15H14BrN3O3 — CID 1048926

IUPAC5-bromo-N-[(3,4-dimethoxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2cncc(Br)c2)cc1OC
InChIInChI=1S/C15H14BrN3O3/c1-21-13-4-3-10(5-14(13)22-2)7-18-19-15(20)11-6-12(16)9-17-8-11/h3-9H,1-2H3,(H,19,20)
InChIKeyGEKXKRPWUPYGSC-UHFFFAOYSA-N
MW364.20 g/mol
LogP2.63
Rot. Bonds5

About 5-bromo-N-[(3,4-dimethoxyphenyl)methylideneamino]pyridine-3-carboxamide

5-bromo-N-[(3,4-dimethoxyphenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 1048926) has the molecular formula C15H14BrN3O3 and a molecular weight of 364.20 g/mol. Its IUPAC name is 5-bromo-N-[(3,4-dimethoxyphenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(3,4-dimethoxyphenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID1048926
Molecular FormulaC15H14BrN3O3
Molecular Weight364.20 g/mol
Exact Mass363.02
IUPAC Name5-bromo-N-[(3,4-dimethoxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2cncc(Br)c2)cc1OC
InChIInChI=1S/C15H14BrN3O3/c1-21-13-4-3-10(5-14(13)22-2)7-18-19-15(20)11-6-12(16)9-17-8-11/h3-9H,1-2H3,(H,19,20)
InChIKeyGEKXKRPWUPYGSC-UHFFFAOYSA-N
XLogP2.63
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.20
LogP ≤ 52.63
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'}

Analyze 5-bromo-N-[(3,4-dimethoxyphenyl)methylideneamino]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 5437060
5-bromo-N-[(4-methoxy-3-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 3359702
[4-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate
CID 5458091
5-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]pyridine-3-carboxamide
CID 6311396
5-bromo-N-[(4-chlorophenyl)methylideneamino]pyridine-3-carboxamide
CID 789585
5-bromo-N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 135796985
5-bromo-N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 136882425
3-[(3-bromobenzoyl)amino]-N-[(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 171135912
5-bromo-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide
CID 136794132
5-bromo-N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide
CID 135643230
5-bromo-N-[[4-(diethylamino)phenyl]methylideneamino]pyridine-3-carboxamide
CID 1381844
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3,4-dimethoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(3,4-dimethoxyphenyl)methylideneamino]pyridine-3-carboxamide (CID 1048926) is 5-bromo-N-[(3,4-dimethoxyphenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(3,4-dimethoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(3,4-dimethoxyphenyl)methylideneamino]pyridine-3-carboxamide is COc1ccc(C=NNC(=O)c2cncc(Br)c2)cc1OC.
What is the InChIKey of 5-bromo-N-[(3,4-dimethoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is GEKXKRPWUPYGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O3/c1-21-13-4-3-10(5-14(13)22-2)7-18-19-15(20)11-6-12(16)9-17-8-11/h3-9H,1-2H3,(H,19,20).
What are the key properties of 5-bromo-N-[(3,4-dimethoxyphenyl)methylideneamino]pyridine-3-carboxamide?
5-bromo-N-[(3,4-dimethoxyphenyl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 364.20 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3,4-dimethoxyphenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 1048926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).