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

C16H12FN5OS — CID 23007639

IUPAC2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-fluorophenyl)acetamide
SMILESCc1c(C#N)c(N)nc(SCC(=O)Nc2ccccc2F)c1C#N
InChIInChI=1S/C16H12FN5OS/c1-9-10(6-18)15(20)22-16(11(9)7-19)24-8-14(23)21-13-5-3-2-4-12(13)17/h2-5H,8H2,1H3,(H2,20,22)(H,21,23)
InChIKeyMATHDTXDTFEVGD-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.59
Rot. Bonds4

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

2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-fluorophenyl)acetamide (PubChem CID 23007639) has the molecular formula C16H12FN5OS and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-fluorophenyl)acetamide
PubChem CID23007639
Molecular FormulaC16H12FN5OS
Molecular Weight341.37 g/mol
Exact Mass341.07
IUPAC Name2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-fluorophenyl)acetamide
SMILESCc1c(C#N)c(N)nc(SCC(=O)Nc2ccccc2F)c1C#N
InChIInChI=1S/C16H12FN5OS/c1-9-10(6-18)15(20)22-16(11(9)7-19)24-8-14(23)21-13-5-3-2-4-12(13)17/h2-5H,8H2,1H3,(H2,20,22)(H,21,23)
InChIKeyMATHDTXDTFEVGD-UHFFFAOYSA-N
XLogP2.59
TPSA115.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 23007657
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 24630972
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-[4-(trifluoromethoxy)phenyl]acetamide
CID 23007649
N-[2-(cyanomethylsulfanyl)phenyl]-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide
CID 7491574
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24630975
2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 23007680
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 40663166
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 707628
2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 1285620
2-[[2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetyl]amino]-N-phenylbenzamide
CID 24597687
4-[2-amino-6-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-3,5-dicyano-4-pyridinyl]-3-methyloxadiazol-3-ium-5-olate
CID 53296147

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-fluorophenyl)acetamide (CID 23007639) is 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-fluorophenyl)acetamide is Cc1c(C#N)c(N)nc(SCC(=O)Nc2ccccc2F)c1C#N.
What is the InChIKey of 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-fluorophenyl)acetamide?
The InChIKey is MATHDTXDTFEVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5OS/c1-9-10(6-18)15(20)22-16(11(9)7-19)24-8-14(23)21-13-5-3-2-4-12(13)17/h2-5H,8H2,1H3,(H2,20,22)(H,21,23).
What are the key properties of 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-fluorophenyl)acetamide?
2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-fluorophenyl)acetamide has a molecular weight of 341.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 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-(2-fluorophenyl)acetamide is sourced from PubChem (CID 23007639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).