5-bromo-N-methyl-2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide

C13H15BrN4OS — CID 63838945

IUPAC5-bromo-N-methyl-2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)N(C)Cc1scnc1C
InChIInChI=1S/C13H15BrN4OS/c1-8-11(20-7-17-8)6-18(3)13(19)10-4-9(14)5-16-12(10)15-2/h4-5,7H,6H2,1-3H3,(H,15,16)
InChIKeyZJMKERQDSDVEDF-UHFFFAOYSA-N
MW355.26 g/mol
LogP2.92
Rot. Bonds4

About 5-bromo-N-methyl-2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide

5-bromo-N-methyl-2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide (PubChem CID 63838945) has the molecular formula C13H15BrN4OS and a molecular weight of 355.26 g/mol. Its IUPAC name is 5-bromo-N-methyl-2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
PubChem CID63838945
Molecular FormulaC13H15BrN4OS
Molecular Weight355.26 g/mol
Exact Mass354.01
IUPAC Name5-bromo-N-methyl-2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)N(C)Cc1scnc1C
InChIInChI=1S/C13H15BrN4OS/c1-8-11(20-7-17-8)6-18(3)13(19)10-4-9(14)5-16-12(10)15-2/h4-5,7H,6H2,1-3H3,(H,15,16)
InChIKeyZJMKERQDSDVEDF-UHFFFAOYSA-N
XLogP2.92
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-bromo-4-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 55261585
3,5-dihydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 104939000
5-amino-2-bromo-4-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63843761
5-chloro-6-(ethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 63838798
5-bromo-N',N'-dimethyl-2-(methylamino)pyridine-3-carbohydrazide
CID 83022924
5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685501
5-bromo-N-methyl-2-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide
CID 62169583
5-bromo-2-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 63825797
5-amino-2-methoxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63843759
4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63843592

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-methyl-2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide (CID 63838945) is 5-bromo-N-methyl-2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide is CNc1ncc(Br)cc1C(=O)N(C)Cc1scnc1C.
What is the InChIKey of 5-bromo-N-methyl-2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide?
The InChIKey is ZJMKERQDSDVEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4OS/c1-8-11(20-7-17-8)6-18(3)13(19)10-4-9(14)5-16-12(10)15-2/h4-5,7H,6H2,1-3H3,(H,15,16).
What are the key properties of 5-bromo-N-methyl-2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide?
5-bromo-N-methyl-2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide has a molecular weight of 355.26 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 63838945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).