2-[(5-amino-2-pyridinyl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide

C15H14N4OS — CID 43300974

IUPAC2-[(5-amino-2-pyridinyl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide
SMILESN#CCc1ccc(NC(=O)CSc2ccc(N)cn2)cc1
InChIInChI=1S/C15H14N4OS/c16-8-7-11-1-4-13(5-2-11)19-14(20)10-21-15-6-3-12(17)9-18-15/h1-6,9H,7,10,17H2,(H,19,20)
InChIKeyGSIYGPDRTHAPNK-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.46
Rot. Bonds5

About 2-[(5-amino-2-pyridinyl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide

2-[(5-amino-2-pyridinyl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide (PubChem CID 43300974) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-[(5-amino-2-pyridinyl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(5-amino-2-pyridinyl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide
PubChem CID43300974
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name2-[(5-amino-2-pyridinyl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide
SMILESN#CCc1ccc(NC(=O)CSc2ccc(N)cn2)cc1
InChIInChI=1S/C15H14N4OS/c16-8-7-11-1-4-13(5-2-11)19-14(20)10-21-15-6-3-12(17)9-18-15/h1-6,9H,7,10,17H2,(H,19,20)
InChIKeyGSIYGPDRTHAPNK-UHFFFAOYSA-N
XLogP2.46
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-amino-2-pyridinyl)-N-[4-(cyanomethyl)phenyl]acetamide
CID 107337812
3-(4-aminophenyl)-N-[4-(cyanomethyl)phenyl]propanamide
CID 62302853
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide
CID 43301358
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(3-ethylphenyl)acetamide
CID 43301325
2-(4-chlorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide
CID 7603938
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide
CID 51319532
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 43301243
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,4,6-tribromophenyl)acetamide
CID 43301080
N-[4-(cyanomethyl)phenyl]-2-quinazolin-4-ylsulfanylacetamide
CID 8939437
2-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]sulfanylacetate
CID 6930186
N-[4-(cyanomethyl)phenyl]-2-(2,3-dihydroxypropylsulfanyl)acetamide
CID 79682889
2-cyano-N-[4-(cyanomethyl)phenyl]acetamide
CID 10655606

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide?
The IUPAC name of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide (CID 43300974) is 2-[(5-amino-2-pyridinyl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(5-amino-2-pyridinyl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide?
The canonical SMILES for 2-[(5-amino-2-pyridinyl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide is N#CCc1ccc(NC(=O)CSc2ccc(N)cn2)cc1.
What is the InChIKey of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide?
The InChIKey is GSIYGPDRTHAPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c16-8-7-11-1-4-13(5-2-11)19-14(20)10-21-15-6-3-12(17)9-18-15/h1-6,9H,7,10,17H2,(H,19,20).
What are the key properties of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide?
2-[(5-amino-2-pyridinyl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide has a molecular weight of 298.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-pyridinyl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide is sourced from PubChem (CID 43300974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).