3-amino-N,N-dimethyl-5-methylsulfanylpyridine-2-carboxamide

C9H13N3OS — CID 145196831

IUPAC3-amino-N,N-dimethyl-5-methylsulfanylpyridine-2-carboxamide
SMILESCSc1cnc(C(=O)N(C)C)c(N)c1
InChIInChI=1S/C9H13N3OS/c1-12(2)9(13)8-7(10)4-6(14-3)5-11-8/h4-5H,10H2,1-3H3
InChIKeyZBPQEJQYQSMISJ-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.09
Rot. Bonds2

About 3-amino-N,N-dimethyl-5-methylsulfanylpyridine-2-carboxamide

3-amino-N,N-dimethyl-5-methylsulfanylpyridine-2-carboxamide (PubChem CID 145196831) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-5-methylsulfanylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-5-methylsulfanylpyridine-2-carboxamide
PubChem CID145196831
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name3-amino-N,N-dimethyl-5-methylsulfanylpyridine-2-carboxamide
SMILESCSc1cnc(C(=O)N(C)C)c(N)c1
InChIInChI=1S/C9H13N3OS/c1-12(2)9(13)8-7(10)4-6(14-3)5-11-8/h4-5H,10H2,1-3H3
InChIKeyZBPQEJQYQSMISJ-UHFFFAOYSA-N
XLogP1.09
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methyl-5-methylsulfanyl-2-pyridinyl)ethanone
CID 170900169
6-amino-N,N,5-trimethylpyridine-3-carboxamide;ethane
CID 178150598
3-amino-N,N-dimethyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide
CID 82989401
3-amino-N,N-dimethyl-4-(4-methylsulfanylphenoxy)benzamide
CID 82992971
5-chloro-3-ethyl-N,N-dimethylpyrazine-2-carboxamide
CID 142792962
N,N,5-trimethyl-1,3-oxazole-2-carboxamide
CID 112530587
4-amino-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 63107047
4-(4-aminophenyl)sulfanyl-N,N-dimethylpyridine-2-carboxamide
CID 61370610
2-amino-4,6-difluoro-N,N-dimethylbenzamide
CID 70098620
2-amino-4-bromo-N,N-dimethylbenzamide
CID 79714600
3-(dimethylcarbamoyl)pyrazine-2-carboxylate
CID 121238753
N,N-dimethyl-6-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 133056774

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-5-methylsulfanylpyridine-2-carboxamide?
The IUPAC name of 3-amino-N,N-dimethyl-5-methylsulfanylpyridine-2-carboxamide (CID 145196831) is 3-amino-N,N-dimethyl-5-methylsulfanylpyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-5-methylsulfanylpyridine-2-carboxamide?
The canonical SMILES for 3-amino-N,N-dimethyl-5-methylsulfanylpyridine-2-carboxamide is CSc1cnc(C(=O)N(C)C)c(N)c1.
What is the InChIKey of 3-amino-N,N-dimethyl-5-methylsulfanylpyridine-2-carboxamide?
The InChIKey is ZBPQEJQYQSMISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-12(2)9(13)8-7(10)4-6(14-3)5-11-8/h4-5H,10H2,1-3H3.
What are the key properties of 3-amino-N,N-dimethyl-5-methylsulfanylpyridine-2-carboxamide?
3-amino-N,N-dimethyl-5-methylsulfanylpyridine-2-carboxamide has a molecular weight of 211.29 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-5-methylsulfanylpyridine-2-carboxamide is sourced from PubChem (CID 145196831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).