6-amino-5-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)pyridine-3-carboxamide

C9H13N3O2S — CID 123407010

IUPAC6-amino-5-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)pyridine-3-carboxamide
SMILESC=S(C)(=O)NC(=O)c1cnc(N)c(C)c1
InChIInChI=1S/C9H13N3O2S/c1-6-4-7(5-11-8(6)10)9(13)12-15(2,3)14/h4-5H,2H2,1,3H3,(H2,10,11)(H,12,13,14)
InChIKeySDIKAHFCXGTGAP-UHFFFAOYSA-N
MW227.29 g/mol
LogP-0.04
Rot. Bonds2

About 6-amino-5-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)pyridine-3-carboxamide

6-amino-5-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)pyridine-3-carboxamide (PubChem CID 123407010) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 6-amino-5-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)pyridine-3-carboxamide
PubChem CID123407010
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name6-amino-5-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)pyridine-3-carboxamide
SMILESC=S(C)(=O)NC(=O)c1cnc(N)c(C)c1
InChIInChI=1S/C9H13N3O2S/c1-6-4-7(5-11-8(6)10)9(13)12-15(2,3)14/h4-5H,2H2,1,3H3,(H2,10,11)(H,12,13,14)
InChIKeySDIKAHFCXGTGAP-UHFFFAOYSA-N
XLogP-0.04
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-amino-5-[2-[3-[(3-methylfuran-2-carbonyl)amino]phenyl]ethynyl]-N-(methyl-methylidene-oxo-λ6-sulfanyl)pyridine-3-carboxamide
CID 123808078
tert-butyl 6-amino-5-methylpyridine-3-carboxylate
CID 135394582
6-amino-N,N,5-trimethylpyridine-3-carboxamide;ethane
CID 178150598
6-amino-5-chloro-N-hydroxypyridine-3-carboxamide
CID 130615065
6-amino-5-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-carboxamide
CID 79555286
6-amino-5-chloro-N-(4-methylphenyl)pyridine-3-carboxamide
CID 62154043
6-amino-N-ethyl-5-methylpyridine-3-sulfonamide
CID 82471323
6-amino-5-chloro-N-(4-fluoro-3-methylphenyl)pyridine-3-carboxamide
CID 62811763
methyl 4-(6-amino-5-methyl-3-pyridinyl)benzoate
CID 82556066
5-amino-N,6-dimethylpyridine-3-carboxamide
CID 130268868
2-N,5-N-ditert-butyl-3-methylpyridine-2,5-dicarboxamide
CID 101053138
4-fluoro-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide
CID 63213093

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)pyridine-3-carboxamide?
The IUPAC name of 6-amino-5-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)pyridine-3-carboxamide (CID 123407010) is 6-amino-5-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-5-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)pyridine-3-carboxamide?
The canonical SMILES for 6-amino-5-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)pyridine-3-carboxamide is C=S(C)(=O)NC(=O)c1cnc(N)c(C)c1.
What is the InChIKey of 6-amino-5-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)pyridine-3-carboxamide?
The InChIKey is SDIKAHFCXGTGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-6-4-7(5-11-8(6)10)9(13)12-15(2,3)14/h4-5H,2H2,1,3H3,(H2,10,11)(H,12,13,14).
What are the key properties of 6-amino-5-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)pyridine-3-carboxamide?
6-amino-5-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)pyridine-3-carboxamide has a molecular weight of 227.29 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 123407010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).