2-amino-5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide

C12H18BrN3OS — CID 114194010

IUPAC2-amino-5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
SMILESCCC(CSC)N(C)C(=O)c1cc(N)ncc1Br
InChIInChI=1S/C12H18BrN3OS/c1-4-8(7-18-3)16(2)12(17)9-5-11(14)15-6-10(9)13/h5-6,8H,4,7H2,1-3H3,(H2,14,15)
InChIKeyIAQSTJBJZOLPBJ-UHFFFAOYSA-N
MW332.27 g/mol
LogP2.64
Rot. Bonds5

About 2-amino-5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide

2-amino-5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide (PubChem CID 114194010) has the molecular formula C12H18BrN3OS and a molecular weight of 332.27 g/mol. Its IUPAC name is 2-amino-5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
PubChem CID114194010
Molecular FormulaC12H18BrN3OS
Molecular Weight332.27 g/mol
Exact Mass331.04
IUPAC Name2-amino-5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
SMILESCCC(CSC)N(C)C(=O)c1cc(N)ncc1Br
InChIInChI=1S/C12H18BrN3OS/c1-4-8(7-18-3)16(2)12(17)9-5-11(14)15-6-10(9)13/h5-6,8H,4,7H2,1-3H3,(H2,14,15)
InChIKeyIAQSTJBJZOLPBJ-UHFFFAOYSA-N
XLogP2.64
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 112664138
5-amino-N,2,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 102705866
2-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112551572
4-amino-3-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112659238
2-amino-5-bromo-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 114193918
2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-(trifluoromethyl)benzamide
CID 115987269
3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 112551650
4-bromo-3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112551619
2-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]benzoic acid
CID 112657921
2-hydroxy-5-iodo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 103526844
3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 103909933
2-amino-5-bromo-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide
CID 114193919

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide (CID 114194010) is 2-amino-5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide is CCC(CSC)N(C)C(=O)c1cc(N)ncc1Br.
What is the InChIKey of 2-amino-5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide?
The InChIKey is IAQSTJBJZOLPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3OS/c1-4-8(7-18-3)16(2)12(17)9-5-11(14)15-6-10(9)13/h5-6,8H,4,7H2,1-3H3,(H2,14,15).
What are the key properties of 2-amino-5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide?
2-amino-5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide has a molecular weight of 332.27 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 114194010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).