6-bromo-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide

C9H11BrN4O — CID 134714782

IUPAC6-bromo-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide
SMILESCN(C)/C=N/NC(=O)c1cccc(Br)n1
InChIInChI=1S/C9H11BrN4O/c1-14(2)6-11-13-9(15)7-4-3-5-8(10)12-7/h3-6H,1-2H3,(H,13,15)/b11-6+
InChIKeyZECIQTNFCLSJLP-IZZDOVSWSA-N
MW271.12 g/mol
LogP1.08
Rot. Bonds3

About 6-bromo-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide

6-bromo-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide (PubChem CID 134714782) has the molecular formula C9H11BrN4O and a molecular weight of 271.12 g/mol. Its IUPAC name is 6-bromo-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide
PubChem CID134714782
Molecular FormulaC9H11BrN4O
Molecular Weight271.12 g/mol
Exact Mass270.01
IUPAC Name6-bromo-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide
SMILESCN(C)/C=N/NC(=O)c1cccc(Br)n1
InChIInChI=1S/C9H11BrN4O/c1-14(2)6-11-13-9(15)7-4-3-5-8(10)12-7/h3-6H,1-2H3,(H,13,15)/b11-6+
InChIKeyZECIQTNFCLSJLP-IZZDOVSWSA-N
XLogP1.08
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,6-bis(dimethylaminomethylideneamino)pyridine-2-carboxamide
CID 123676409
N-(dimethylaminomethylideneamino)pyridine-2-carboxamide
CID 174940489
6-bromo-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 113343282
6-(dimethylaminomethylideneamino)-N-(methylideneamino)pyridine-2-carboxamide
CID 174020763
6-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 18668624
6-[[3-amino-3-methoxy-2-(methyliminomethyl)prop-2-enoyl]amino]-N-[(Z)-dimethylaminomethylideneamino]pyridine-2-carboxamide
CID 174072630
6-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 103874038
6-bromo-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
CID 103916694
6-bromo-N-[3-chloro-4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 103875218
6-bromo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-2-carboxamide
CID 113343278
6-bromo-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
CID 103874101
6-bromo-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 103874055

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide (CID 134714782) is 6-bromo-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide is CN(C)/C=N/NC(=O)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide?
The InChIKey is ZECIQTNFCLSJLP-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H11BrN4O/c1-14(2)6-11-13-9(15)7-4-3-5-8(10)12-7/h3-6H,1-2H3,(H,13,15)/b11-6+.
What are the key properties of 6-bromo-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide?
6-bromo-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide has a molecular weight of 271.12 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 134714782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).