5-bromo-2-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide

C11H11BrN4OS — CID 63825797

IUPAC5-bromo-2-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)NCc1cscn1
InChIInChI=1S/C11H11BrN4OS/c1-13-10-9(2-7(12)3-14-10)11(17)15-4-8-5-18-6-16-8/h2-3,5-6H,4H2,1H3,(H,13,14)(H,15,17)
InChIKeySILLMCLQDKBZSQ-UHFFFAOYSA-N
MW327.21 g/mol
LogP2.27
Rot. Bonds4

About 5-bromo-2-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide

5-bromo-2-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 63825797) has the molecular formula C11H11BrN4OS and a molecular weight of 327.21 g/mol. Its IUPAC name is 5-bromo-2-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
PubChem CID63825797
Molecular FormulaC11H11BrN4OS
Molecular Weight327.21 g/mol
Exact Mass325.98
IUPAC Name5-bromo-2-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)NCc1cscn1
InChIInChI=1S/C11H11BrN4OS/c1-13-10-9(2-7(12)3-14-10)11(17)15-4-8-5-18-6-16-8/h2-3,5-6H,4H2,1H3,(H,13,14)(H,15,17)
InChIKeySILLMCLQDKBZSQ-UHFFFAOYSA-N
XLogP2.27
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 63825090
5-bromo-2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 62166425
5-bromo-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid
CID 55260858
5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-3-carboxamide
CID 106049939
5-bromo-2-(methylamino)-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
CID 113466911
5-bromo-2-(methylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide
CID 55047276
5-bromo-N-(2-ethoxyethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62185046
5-bromo-N-(3-methoxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 55047194
5-bromo-N',N'-dimethyl-2-(methylamino)pyridine-3-carbohydrazide
CID 83022924
5-bromo-N-tert-butyl-2-(methylamino)pyridine-3-carboxamide
CID 62172702
5-bromo-N-(2-ethylhexyl)-2-(methylamino)pyridine-3-carboxamide
CID 107818051
5-bromo-N-(2-butoxyethyl)-2-(methylamino)pyridine-3-carboxamide
CID 55047105

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide (CID 63825797) is 5-bromo-2-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide is CNc1ncc(Br)cc1C(=O)NCc1cscn1.
What is the InChIKey of 5-bromo-2-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is SILLMCLQDKBZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4OS/c1-13-10-9(2-7(12)3-14-10)11(17)15-4-8-5-18-6-16-8/h2-3,5-6H,4H2,1H3,(H,13,14)(H,15,17).
What are the key properties of 5-bromo-2-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide?
5-bromo-2-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 327.21 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 63825797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).