3-bromo-N-[4-(dimethylamino)-2-methylphenyl]pyridine-2-carboxamide

C15H16BrN3O — CID 107518241

IUPAC3-bromo-N-[4-(dimethylamino)-2-methylphenyl]pyridine-2-carboxamide
SMILESCc1cc(N(C)C)ccc1NC(=O)c1ncccc1Br
InChIInChI=1S/C15H16BrN3O/c1-10-9-11(19(2)3)6-7-13(10)18-15(20)14-12(16)5-4-8-17-14/h4-9H,1-3H3,(H,18,20)
InChIKeyBVAQTOQRMUVXCG-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.47
Rot. Bonds3

About 3-bromo-N-[4-(dimethylamino)-2-methylphenyl]pyridine-2-carboxamide

3-bromo-N-[4-(dimethylamino)-2-methylphenyl]pyridine-2-carboxamide (PubChem CID 107518241) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 3-bromo-N-[4-(dimethylamino)-2-methylphenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[4-(dimethylamino)-2-methylphenyl]pyridine-2-carboxamide
PubChem CID107518241
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name3-bromo-N-[4-(dimethylamino)-2-methylphenyl]pyridine-2-carboxamide
SMILESCc1cc(N(C)C)ccc1NC(=O)c1ncccc1Br
InChIInChI=1S/C15H16BrN3O/c1-10-9-11(19(2)3)6-7-13(10)18-15(20)14-12(16)5-4-8-17-14/h4-9H,1-3H3,(H,18,20)
InChIKeyBVAQTOQRMUVXCG-UHFFFAOYSA-N
XLogP3.47
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-bromo-N-[4-(dimethylamino)-2-methylphenyl]pyridine-2-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

N-(4-amino-2,5-dimethylphenyl)-3-bromopyridine-2-carboxamide
CID 107516937
3-bromo-N-[4-(dimethylamino)-2-methylphenyl]-2-fluorobenzamide
CID 106544263
3-bromo-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide
CID 107519316
3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 107517768
3-amino-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide
CID 113447553
3-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-2-carboxamide
CID 107519314
N-(4-amino-2-chlorophenyl)-3-bromopyridine-2-carboxamide
CID 107516836
3-bromo-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 107518027
3-bromo-N-[2-(hydroxymethyl)phenyl]pyridine-2-carboxamide
CID 107518361
5-chloro-N-[4-(dimethylamino)-2-methylphenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625694
4-[(3-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
CID 107517066
3-bromo-N-(5-bromo-2-methoxyphenyl)pyridine-2-carboxamide
CID 107517604

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(dimethylamino)-2-methylphenyl]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-[4-(dimethylamino)-2-methylphenyl]pyridine-2-carboxamide (CID 107518241) is 3-bromo-N-[4-(dimethylamino)-2-methylphenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[4-(dimethylamino)-2-methylphenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[4-(dimethylamino)-2-methylphenyl]pyridine-2-carboxamide is Cc1cc(N(C)C)ccc1NC(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-[4-(dimethylamino)-2-methylphenyl]pyridine-2-carboxamide?
The InChIKey is BVAQTOQRMUVXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-10-9-11(19(2)3)6-7-13(10)18-15(20)14-12(16)5-4-8-17-14/h4-9H,1-3H3,(H,18,20).
What are the key properties of 3-bromo-N-[4-(dimethylamino)-2-methylphenyl]pyridine-2-carboxamide?
3-bromo-N-[4-(dimethylamino)-2-methylphenyl]pyridine-2-carboxamide has a molecular weight of 334.22 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(dimethylamino)-2-methylphenyl]pyridine-2-carboxamide is sourced from PubChem (CID 107518241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).