2-[[2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl]-methylamino]-N-tert-butylacetamide

C16H20N6O2S — CID 8562191

IUPAC2-[[2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl]-methylamino]-N-tert-butylacetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)CSc1nc(N)c(C#N)cc1C#N
InChIInChI=1S/C16H20N6O2S/c1-16(2,3)21-12(23)8-22(4)13(24)9-25-15-11(7-18)5-10(6-17)14(19)20-15/h5H,8-9H2,1-4H3,(H2,19,20)(H,21,23)
InChIKeyQANCXHOVHUYNCW-UHFFFAOYSA-N
MW360.44 g/mol
LogP0.87
Rot. Bonds5

About 2-[[2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl]-methylamino]-N-tert-butylacetamide

2-[[2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl]-methylamino]-N-tert-butylacetamide (PubChem CID 8562191) has the molecular formula C16H20N6O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-[[2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl]-methylamino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[[2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl]-methylamino]-N-tert-butylacetamide
PubChem CID8562191
Molecular FormulaC16H20N6O2S
Molecular Weight360.44 g/mol
Exact Mass360.14
IUPAC Name2-[[2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl]-methylamino]-N-tert-butylacetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)CSc1nc(N)c(C#N)cc1C#N
InChIInChI=1S/C16H20N6O2S/c1-16(2,3)21-12(23)8-22(4)13(24)9-25-15-11(7-18)5-10(6-17)14(19)20-15/h5H,8-9H2,1-4H3,(H2,19,20)(H,21,23)
InChIKeyQANCXHOVHUYNCW-UHFFFAOYSA-N
XLogP0.87
TPSA135.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl]-methylamino]-N-tert-butylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 911685
N-tert-butyl-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide
CID 8682254
2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 87048576
2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-bromophenyl)acetamide
CID 1244717
2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;N,N-dimethylformamide
CID 90481403
N-tert-butyl-2-[methyl-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]acetamide
CID 34254461
N-tert-butyl-2-[(8-cyano-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetamide
CID 1450597
2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide
CID 8562149
N-tert-butyl-2-[[2-(5-tert-butyl-2-methylphenyl)sulfanylacetyl]-methylamino]acetamide
CID 55399258
N-tert-butyl-2-[methyl-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
CID 8848605
ethyl (3S)-3-[[2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl]amino]-3-(4-methoxyphenyl)propanoate
CID 98005197
N-tert-butyl-2-[[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]-methylamino]acetamide
CID 34667199

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl]-methylamino]-N-tert-butylacetamide?
The IUPAC name of 2-[[2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl]-methylamino]-N-tert-butylacetamide (CID 8562191) is 2-[[2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl]-methylamino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[[2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl]-methylamino]-N-tert-butylacetamide?
The canonical SMILES for 2-[[2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl]-methylamino]-N-tert-butylacetamide is CN(CC(=O)NC(C)(C)C)C(=O)CSc1nc(N)c(C#N)cc1C#N.
What is the InChIKey of 2-[[2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl]-methylamino]-N-tert-butylacetamide?
The InChIKey is QANCXHOVHUYNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2S/c1-16(2,3)21-12(23)8-22(4)13(24)9-25-15-11(7-18)5-10(6-17)14(19)20-15/h5H,8-9H2,1-4H3,(H2,19,20)(H,21,23).
What are the key properties of 2-[[2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl]-methylamino]-N-tert-butylacetamide?
2-[[2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl]-methylamino]-N-tert-butylacetamide has a molecular weight of 360.44 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl]-methylamino]-N-tert-butylacetamide is sourced from PubChem (CID 8562191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).