N-(5-bromo-1,3-thiazol-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide

C11H11BrN4OS — CID 81242509

IUPACN-(5-bromo-1,3-thiazol-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1cc(C)ncc1C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C11H11BrN4OS/c1-6-3-8(13-2)7(4-14-6)10(17)16-11-15-5-9(12)18-11/h3-5H,1-2H3,(H,13,14)(H,15,16,17)
InChIKeyWHUQIRVDKZACMR-UHFFFAOYSA-N
MW327.21 g/mol
LogP2.90
Rot. Bonds3

About N-(5-bromo-1,3-thiazol-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide

N-(5-bromo-1,3-thiazol-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide (PubChem CID 81242509) has the molecular formula C11H11BrN4OS and a molecular weight of 327.21 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
PubChem CID81242509
Molecular FormulaC11H11BrN4OS
Molecular Weight327.21 g/mol
Exact Mass325.98
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1cc(C)ncc1C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C11H11BrN4OS/c1-6-3-8(13-2)7(4-14-6)10(17)16-11-15-5-9(12)18-11/h3-5H,1-2H3,(H,13,14)(H,15,16,17)
InChIKeyWHUQIRVDKZACMR-UHFFFAOYSA-N
XLogP2.90
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide (CID 81242509) is N-(5-bromo-1,3-thiazol-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide is CNc1cc(C)ncc1C(=O)Nc1ncc(Br)s1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide?
The InChIKey is WHUQIRVDKZACMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4OS/c1-6-3-8(13-2)7(4-14-6)10(17)16-11-15-5-9(12)18-11/h3-5H,1-2H3,(H,13,14)(H,15,16,17).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide?
N-(5-bromo-1,3-thiazol-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide has a molecular weight of 327.21 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81242509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).