5-bromo-N-cyclopropyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C12H13BrF3N3O — CID 62180288

IUPAC5-bromo-N-cyclopropyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H13BrF3N3O/c1-17-10-9(4-7(13)5-18-10)11(20)19(8-2-3-8)6-12(14,15)16/h4-5,8H,2-3,6H2,1H3,(H,17,18)
InChIKeyCYARNEWNLXFAME-UHFFFAOYSA-N
MW352.15 g/mol
LogP3.05
Rot. Bonds4

About 5-bromo-N-cyclopropyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

5-bromo-N-cyclopropyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 62180288) has the molecular formula C12H13BrF3N3O and a molecular weight of 352.15 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID62180288
Molecular FormulaC12H13BrF3N3O
Molecular Weight352.15 g/mol
Exact Mass351.02
IUPAC Name5-bromo-N-cyclopropyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H13BrF3N3O/c1-17-10-9(4-7(13)5-18-10)11(20)19(8-2-3-8)6-12(14,15)16/h4-5,8H,2-3,6H2,1H3,(H,17,18)
InChIKeyCYARNEWNLXFAME-UHFFFAOYSA-N
XLogP3.05
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.15
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-cyclopropyl-N-ethyl-2-(propylamino)pyridine-3-carboxamide
CID 62167913
5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 79386356
N-cyclopropyl-4-hydrazinyl-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 81255905
5-bromo-N-methyl-2-(methylamino)-N-(3-methylbutyl)pyridine-3-carboxamide
CID 55047297
5-bromo-N-methyl-2-(methylamino)-N-pentylpyridine-3-carboxamide
CID 62168980
5-bromo-N-cyclobutyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 102870609
5-chloro-N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 62238262
5-bromo-N-(2-cyanoethyl)-N-cyclopropyl-2-(propylamino)pyridine-3-carboxamide
CID 62175268
2-amino-5-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 114922544
5-bromo-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 55042655
5-bromo-N-methyl-2-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide
CID 62169583
2-azabicyclo[2.2.1]heptan-2-yl-[5-bromo-2-(methylamino)-3-pyridinyl]methanone
CID 62174401

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-cyclopropyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 62180288) is 5-bromo-N-cyclopropyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-cyclopropyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-cyclopropyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is CNc1ncc(Br)cc1C(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 5-bromo-N-cyclopropyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is CYARNEWNLXFAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF3N3O/c1-17-10-9(4-7(13)5-18-10)11(20)19(8-2-3-8)6-12(14,15)16/h4-5,8H,2-3,6H2,1H3,(H,17,18).
What are the key properties of 5-bromo-N-cyclopropyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
5-bromo-N-cyclopropyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 352.15 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 62180288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).