5-amino-2-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboxamide

C12H20N4OS — CID 112656986

IUPAC5-amino-2-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboxamide
SMILESCCC(CSC)N(C)c1ncc(N)cc1C(N)=O
InChIInChI=1S/C12H20N4OS/c1-4-9(7-18-3)16(2)12-10(11(14)17)5-8(13)6-15-12/h5-6,9H,4,7,13H2,1-3H3,(H2,14,17)
InChIKeyZTVBRZRYTXJWPL-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.34
Rot. Bonds6

About 5-amino-2-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboxamide

5-amino-2-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboxamide (PubChem CID 112656986) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 5-amino-2-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboxamide
PubChem CID112656986
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name5-amino-2-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboxamide
SMILESCCC(CSC)N(C)c1ncc(N)cc1C(N)=O
InChIInChI=1S/C12H20N4OS/c1-4-9(7-18-3)16(2)12-10(11(14)17)5-8(13)6-15-12/h5-6,9H,4,7,13H2,1-3H3,(H2,14,17)
InChIKeyZTVBRZRYTXJWPL-UHFFFAOYSA-N
XLogP1.34
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-amino-2-[methyl(pentan-3-yl)amino]pyridine-3-carboxylate
CID 114047032
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5-amino-2-[methyl(propyl)amino]pyridine-3-carboxamide
CID 61358399
5-amino-2-[methyl(pentyl)amino]pyridine-3-carboxamide
CID 61358598
5-amino-2-[ethyl(propyl)amino]pyridine-3-carboxamide
CID 61358208
5-amino-2-[(2-amino-2-oxoethyl)-ethylamino]pyridine-3-carboxamide
CID 103101079
1-[methyl(1-methylsulfanylbutan-2-yl)amino]isoquinoline-4-carboxylic acid
CID 106767444
5-amino-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-3-carboxamide
CID 55005406
5-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxamide
CID 81058266
5-amino-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxamide
CID 107197717
5-amino-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxamide
CID 61359374
5-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxamide
CID 55011243

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboxamide (CID 112656986) is 5-amino-2-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboxamide is CCC(CSC)N(C)c1ncc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboxamide?
The InChIKey is ZTVBRZRYTXJWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-4-9(7-18-3)16(2)12-10(11(14)17)5-8(13)6-15-12/h5-6,9H,4,7,13H2,1-3H3,(H2,14,17).
What are the key properties of 5-amino-2-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboxamide?
5-amino-2-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 112656986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).