6-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylsulfanyl]-5-cyano-2-methyl-N-phenylpyridine-3-carboxamide

C21H22N8OS — CID 42892760

IUPAC6-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylsulfanyl]-5-cyano-2-methyl-N-phenylpyridine-3-carboxamide
SMILESCc1nc(SC(C)c2nc(N)nc(N(C)C)n2)c(C#N)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C21H22N8OS/c1-12-16(18(30)25-15-8-6-5-7-9-15)10-14(11-22)19(24-12)31-13(2)17-26-20(23)28-21(27-17)29(3)4/h5-10,13H,1-4H3,(H,25,30)(H2,23,26,27,28)
InChIKeyHSGGAJLCDDBFLU-UHFFFAOYSA-N
MW434.53 g/mol
LogP3.20
Rot. Bonds6

About 6-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylsulfanyl]-5-cyano-2-methyl-N-phenylpyridine-3-carboxamide

6-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylsulfanyl]-5-cyano-2-methyl-N-phenylpyridine-3-carboxamide (PubChem CID 42892760) has the molecular formula C21H22N8OS and a molecular weight of 434.53 g/mol. Its IUPAC name is 6-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylsulfanyl]-5-cyano-2-methyl-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylsulfanyl]-5-cyano-2-methyl-N-phenylpyridine-3-carboxamide
PubChem CID42892760
Molecular FormulaC21H22N8OS
Molecular Weight434.53 g/mol
Exact Mass434.16
IUPAC Name6-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylsulfanyl]-5-cyano-2-methyl-N-phenylpyridine-3-carboxamide
SMILESCc1nc(SC(C)c2nc(N)nc(N(C)C)n2)c(C#N)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C21H22N8OS/c1-12-16(18(30)25-15-8-6-5-7-9-15)10-14(11-22)19(24-12)31-13(2)17-26-20(23)28-21(27-17)29(3)4/h5-10,13H,1-4H3,(H,25,30)(H2,23,26,27,28)
InChIKeyHSGGAJLCDDBFLU-UHFFFAOYSA-N
XLogP3.20
TPSA133.71 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylsulfanyl]-5-cyano-2-methyl-N-phenylpyridine-3-carboxamide with MolForge

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Related Compounds

5-cyano-2-methyl-N-phenyl-6-(2-propan-2-yloxyethylsulfanyl)pyridine-3-carboxamide
CID 24675134
2-amino-5-cyano-6-[2-(dimethylamino)-2-oxo-1-phenylethyl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 55392955
2-amino-5-cyano-6-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 55423113
N-[4-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]sulfanylphenyl]acetamide
CID 40882562
2-amino-6-[1-(3-chloroanilino)-1-oxopropan-2-yl]sulfanyl-5-cyano-N-phenylpyridine-3-carboxamide
CID 55369002
2-amino-5-cyano-6-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-N-phenylpyridine-3-carboxamide
CID 55579149
2-amino-6-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]sulfanyl-5-cyano-N-phenylpyridine-3-carboxamide
CID 25499084
5-cyano-2-methyl-6-[[(2S)-oxan-2-yl]methylsulfanyl]-N-phenylpyridine-3-carboxamide
CID 30036453
2-amino-5-cyano-6-[2-(3-methylbutylamino)-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 25474181
ethyl 5-cyano-2-methyl-6-[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]sulfanylpyridine-3-carboxylate
CID 24597686
2-amino-5-cyano-6-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-N-phenylpyridine-3-carboxamide
CID 155968405
2-amino-5-cyano-6-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 55369093

Frequently Asked Questions

What is the IUPAC name of 6-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylsulfanyl]-5-cyano-2-methyl-N-phenylpyridine-3-carboxamide?
The IUPAC name of 6-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylsulfanyl]-5-cyano-2-methyl-N-phenylpyridine-3-carboxamide (CID 42892760) is 6-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylsulfanyl]-5-cyano-2-methyl-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 6-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylsulfanyl]-5-cyano-2-methyl-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 6-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylsulfanyl]-5-cyano-2-methyl-N-phenylpyridine-3-carboxamide is Cc1nc(SC(C)c2nc(N)nc(N(C)C)n2)c(C#N)cc1C(=O)Nc1ccccc1.
What is the InChIKey of 6-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylsulfanyl]-5-cyano-2-methyl-N-phenylpyridine-3-carboxamide?
The InChIKey is HSGGAJLCDDBFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8OS/c1-12-16(18(30)25-15-8-6-5-7-9-15)10-14(11-22)19(24-12)31-13(2)17-26-20(23)28-21(27-17)29(3)4/h5-10,13H,1-4H3,(H,25,30)(H2,23,26,27,28).
What are the key properties of 6-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylsulfanyl]-5-cyano-2-methyl-N-phenylpyridine-3-carboxamide?
6-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylsulfanyl]-5-cyano-2-methyl-N-phenylpyridine-3-carboxamide has a molecular weight of 434.53 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylsulfanyl]-5-cyano-2-methyl-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 42892760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).