6-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

C12H13BrF3N3O2 — CID 103889772

IUPAC6-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)c1cccc(Br)n1
InChIInChI=1S/C12H13BrF3N3O2/c1-18(2)10(20)6-19(7-12(14,15)16)11(21)8-4-3-5-9(13)17-8/h3-5H,6-7H2,1-2H3
InChIKeyNWQCSFQYSYVARP-UHFFFAOYSA-N
MW368.15 g/mol
LogP1.94
Rot. Bonds4

About 6-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

6-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (PubChem CID 103889772) has the molecular formula C12H13BrF3N3O2 and a molecular weight of 368.15 g/mol. Its IUPAC name is 6-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
PubChem CID103889772
Molecular FormulaC12H13BrF3N3O2
Molecular Weight368.15 g/mol
Exact Mass367.01
IUPAC Name6-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)c1cccc(Br)n1
InChIInChI=1S/C12H13BrF3N3O2/c1-18(2)10(20)6-19(7-12(14,15)16)11(21)8-4-3-5-9(13)17-8/h3-5H,6-7H2,1-2H3
InChIKeyNWQCSFQYSYVARP-UHFFFAOYSA-N
XLogP1.94
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.15
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)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-[2-(dimethylamino)-2-oxoethyl]-2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 87025474
6-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 103889742
2-[(6-methylpyridine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258133
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 60946492
1-(6-bromo-2-pyridinyl)-3,3-difluorobutan-1-one
CID 118670699
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 65359633
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 65354021
6-bromo-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide
CID 103889846
N-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62235473
5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide
CID 87025437
N-[2-(dimethylamino)-2-oxoethyl]-4-(3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 87025428
N-[2-(dimethylamino)-2-oxoethyl]-4-(1,3-dithiolan-2-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 78882701

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (CID 103889772) is 6-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is CN(C)C(=O)CN(CC(F)(F)F)C(=O)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The InChIKey is NWQCSFQYSYVARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF3N3O2/c1-18(2)10(20)6-19(7-12(14,15)16)11(21)8-4-3-5-9(13)17-8/h3-5H,6-7H2,1-2H3.
What are the key properties of 6-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
6-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide has a molecular weight of 368.15 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 103889772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).