5-bromo-N-tert-butyl-2-(methylamino)pyridine-3-carboxamide

C11H16BrN3O — CID 62172702

IUPAC5-bromo-N-tert-butyl-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)NC(C)(C)C
InChIInChI=1S/C11H16BrN3O/c1-11(2,3)15-10(16)8-5-7(12)6-14-9(8)13-4/h5-6H,1-4H3,(H,13,14)(H,15,16)
InChIKeyTVDYDORYSOPWSV-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.41
Rot. Bonds2

About 5-bromo-N-tert-butyl-2-(methylamino)pyridine-3-carboxamide

5-bromo-N-tert-butyl-2-(methylamino)pyridine-3-carboxamide (PubChem CID 62172702) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-N-tert-butyl-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-tert-butyl-2-(methylamino)pyridine-3-carboxamide
PubChem CID62172702
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name5-bromo-N-tert-butyl-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)NC(C)(C)C
InChIInChI=1S/C11H16BrN3O/c1-11(2,3)15-10(16)8-5-7(12)6-14-9(8)13-4/h5-6H,1-4H3,(H,13,14)(H,15,16)
InChIKeyTVDYDORYSOPWSV-UHFFFAOYSA-N
XLogP2.41
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-tert-butyl-2-hydrazinylpyridine-3-carboxamide
CID 62238273
5-bromo-N',N'-dimethyl-2-(methylamino)pyridine-3-carbohydrazide
CID 83022924
N-tert-butyl-2-(methylamino)-5-nitropyridine-3-carboxamide
CID 114047907
5-bromo-2-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-carboxamide
CID 116788035
5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 106283519
5-bromo-2-(methylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide
CID 62174416
5-bromo-N-(3-ethylpentan-3-yl)-2-(propylamino)pyridine-3-carboxamide
CID 65042966
5-bromo-N-(2,6-dichlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 65499656
5-bromo-N-(4-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62170659
5-bromo-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide
CID 62812436
5-bromo-2-(methylamino)-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
CID 113466911
5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 79386356

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-tert-butyl-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-tert-butyl-2-(methylamino)pyridine-3-carboxamide (CID 62172702) is 5-bromo-N-tert-butyl-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-tert-butyl-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-tert-butyl-2-(methylamino)pyridine-3-carboxamide is CNc1ncc(Br)cc1C(=O)NC(C)(C)C.
What is the InChIKey of 5-bromo-N-tert-butyl-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is TVDYDORYSOPWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-11(2,3)15-10(16)8-5-7(12)6-14-9(8)13-4/h5-6H,1-4H3,(H,13,14)(H,15,16).
What are the key properties of 5-bromo-N-tert-butyl-2-(methylamino)pyridine-3-carboxamide?
5-bromo-N-tert-butyl-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 286.17 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-tert-butyl-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62172702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).