2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide

C14H17N5OS — CID 23007633

IUPAC2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nc(N)c(C#N)c(C)c1C#N
InChIInChI=1S/C14H17N5OS/c1-4-19(5-2)12(20)8-21-14-11(7-16)9(3)10(6-15)13(17)18-14/h4-5,8H2,1-3H3,(H2,17,18)
InChIKeyBOYVIKBYVKVTFS-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.68
Rot. Bonds5

About 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide

2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide (PubChem CID 23007633) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide
PubChem CID23007633
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nc(N)c(C#N)c(C)c1C#N
InChIInChI=1S/C14H17N5OS/c1-4-19(5-2)12(20)8-21-14-11(7-16)9(3)10(6-15)13(17)18-14/h4-5,8H2,1-3H3,(H2,17,18)
InChIKeyBOYVIKBYVKVTFS-UHFFFAOYSA-N
XLogP1.68
TPSA106.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[6-amino-3,5-dicyano-4-(3-hydroxy-4-methoxyphenyl)-2-pyridinyl]sulfanyl]-N,N-diethylacetamide
CID 58739506
2-[(6-amino-3,5-dicyano-4-ethyl-2-pyridinyl)sulfanyl]acetamide
CID 15269060
N-(4-acetylphenyl)-2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]acetamide
CID 23007666
2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 23007639
4-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanylmethyl]benzoic acid
CID 23007756
2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 23007680
2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 23007657
2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 23007649
2-amino-4-ethyl-6-phenacylsulfanylpyridine-3,5-dicarbonitrile
CID 780926
2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 78797597
ethyl 2-[[6-amino-3,5-dicyano-4-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]acetate
CID 659270
2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N,N-diethylacetamide
CID 865636

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide?
The IUPAC name of 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide (CID 23007633) is 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide?
The canonical SMILES for 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide is CCN(CC)C(=O)CSc1nc(N)c(C#N)c(C)c1C#N.
What is the InChIKey of 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide?
The InChIKey is BOYVIKBYVKVTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-4-19(5-2)12(20)8-21-14-11(7-16)9(3)10(6-15)13(17)18-14/h4-5,8H2,1-3H3,(H2,17,18).
What are the key properties of 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide?
2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide has a molecular weight of 303.39 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide is sourced from PubChem (CID 23007633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).