2-[(6-amino-3-pyridinyl)sulfanyl]-N-(cyanomethyl)-N-phenylacetamide

C15H14N4OS — CID 43301599

IUPAC2-[(6-amino-3-pyridinyl)sulfanyl]-N-(cyanomethyl)-N-phenylacetamide
SMILESN#CCN(C(=O)CSc1ccc(N)nc1)c1ccccc1
InChIInChI=1S/C15H14N4OS/c16-8-9-19(12-4-2-1-3-5-12)15(20)11-21-13-6-7-14(17)18-10-13/h1-7,10H,9,11H2,(H2,17,18)
InChIKeyLVZIIHZZFVZJHK-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.31
Rot. Bonds5

About 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(cyanomethyl)-N-phenylacetamide

2-[(6-amino-3-pyridinyl)sulfanyl]-N-(cyanomethyl)-N-phenylacetamide (PubChem CID 43301599) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(cyanomethyl)-N-phenylacetamide.

Molecular Properties

Compound Name2-[(6-amino-3-pyridinyl)sulfanyl]-N-(cyanomethyl)-N-phenylacetamide
PubChem CID43301599
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name2-[(6-amino-3-pyridinyl)sulfanyl]-N-(cyanomethyl)-N-phenylacetamide
SMILESN#CCN(C(=O)CSc1ccc(N)nc1)c1ccccc1
InChIInChI=1S/C15H14N4OS/c16-8-9-19(12-4-2-1-3-5-12)15(20)11-21-13-6-7-14(17)18-10-13/h1-7,10H,9,11H2,(H2,17,18)
InChIKeyLVZIIHZZFVZJHK-UHFFFAOYSA-N
XLogP2.31
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-(cyanomethyl)-N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 8706051
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyanomethyl)-N-phenylacetamide
CID 102630706
2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyanomethyl)-N-phenylacetamide
CID 78763038
2-[(6-amino-3-pyridinyl)sulfanyl]-N-ethyl-N-methylacetamide
CID 43309763
2-[(6-amino-3-pyridinyl)sulfanyl]acetamide
CID 43302194
ethyl 2-[2-[N-(cyanomethyl)anilino]-2-oxoethyl]sulfanylacetate
CID 78760511
2-[2-[N-(cyanomethyl)anilino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 81230784
N-(cyanomethyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide
CID 112783040
N-(cyanomethyl)-2-[5-(4-fluorophenyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-phenylacetamide
CID 30989726
N-(cyanomethyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide
CID 40664275
N-(cyanomethyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 7815925
2-amino-4-[2-[N-(cyanomethyl)anilino]-2-oxoethyl]sulfanylbutanoic acid
CID 60919980

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(cyanomethyl)-N-phenylacetamide?
The IUPAC name of 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(cyanomethyl)-N-phenylacetamide (CID 43301599) is 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(cyanomethyl)-N-phenylacetamide.
What is the SMILES notation for 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(cyanomethyl)-N-phenylacetamide?
The canonical SMILES for 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(cyanomethyl)-N-phenylacetamide is N#CCN(C(=O)CSc1ccc(N)nc1)c1ccccc1.
What is the InChIKey of 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(cyanomethyl)-N-phenylacetamide?
The InChIKey is LVZIIHZZFVZJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c16-8-9-19(12-4-2-1-3-5-12)15(20)11-21-13-6-7-14(17)18-10-13/h1-7,10H,9,11H2,(H2,17,18).
What are the key properties of 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(cyanomethyl)-N-phenylacetamide?
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(cyanomethyl)-N-phenylacetamide has a molecular weight of 298.37 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(cyanomethyl)-N-phenylacetamide is sourced from PubChem (CID 43301599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).