6-bromo-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide

C14H14BrN3O — CID 113343282

IUPAC6-bromo-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cccc(Br)n2)cc1
InChIInChI=1S/C14H14BrN3O/c1-18(2)11-8-6-10(7-9-11)16-14(19)12-4-3-5-13(15)17-12/h3-9H,1-2H3,(H,16,19)
InChIKeyCEYBXTNWSJYFCF-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.16
Rot. Bonds3

About 6-bromo-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide

6-bromo-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide (PubChem CID 113343282) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 6-bromo-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
PubChem CID113343282
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name6-bromo-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cccc(Br)n2)cc1
InChIInChI=1S/C14H14BrN3O/c1-18(2)11-8-6-10(7-9-11)16-14(19)12-4-3-5-13(15)17-12/h3-9H,1-2H3,(H,16,19)
InChIKeyCEYBXTNWSJYFCF-UHFFFAOYSA-N
XLogP3.16
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 62239989
6-bromo-N-[3-chloro-4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 103875218
2-N-[4-(dimethylamino)phenyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109099834
6-N-cyclopropyl-2-N-[4-(dimethylamino)phenyl]pyridine-2,6-dicarboxamide
CID 109093956
2-N-[2-(dimethylamino)ethyl]-6-N-[4-(dimethylamino)phenyl]pyridine-2,6-dicarboxamide
CID 109096394
6-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 103874038
6-bromo-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 103874040
6-bromo-N-[4-(ethylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 103875193
6-(cyclopropylamino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 84573387
2-N,6-N-bis[4-(diethylamino)phenyl]pyridine-2,6-dicarboxamide
CID 1019302
6-bromo-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 103874074
6-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 103889568

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide (CID 113343282) is 6-bromo-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide is CN(C)c1ccc(NC(=O)c2cccc(Br)n2)cc1.
What is the InChIKey of 6-bromo-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide?
The InChIKey is CEYBXTNWSJYFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-18(2)11-8-6-10(7-9-11)16-14(19)12-4-3-5-13(15)17-12/h3-9H,1-2H3,(H,16,19).
What are the key properties of 6-bromo-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide?
6-bromo-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide has a molecular weight of 320.19 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 113343282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).