N-(4-amino-6-butylsulfanyl-5-cyano-2-pyridinyl)acetamide

C12H16N4OS — CID 11601374

IUPACN-(4-amino-6-butylsulfanyl-5-cyano-2-pyridinyl)acetamide
SMILESCCCCSc1nc(NC(C)=O)cc(N)c1C#N
InChIInChI=1S/C12H16N4OS/c1-3-4-5-18-12-9(7-13)10(14)6-11(16-12)15-8(2)17/h6H,3-5H2,1-2H3,(H3,14,15,16,17)
InChIKeyNNPBMPLESHIGAE-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.39
Rot. Bonds5

About N-(4-amino-6-butylsulfanyl-5-cyano-2-pyridinyl)acetamide

N-(4-amino-6-butylsulfanyl-5-cyano-2-pyridinyl)acetamide (PubChem CID 11601374) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(4-amino-6-butylsulfanyl-5-cyano-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(4-amino-6-butylsulfanyl-5-cyano-2-pyridinyl)acetamide
PubChem CID11601374
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-(4-amino-6-butylsulfanyl-5-cyano-2-pyridinyl)acetamide
SMILESCCCCSc1nc(NC(C)=O)cc(N)c1C#N
InChIInChI=1S/C12H16N4OS/c1-3-4-5-18-12-9(7-13)10(14)6-11(16-12)15-8(2)17/h6H,3-5H2,1-2H3,(H3,14,15,16,17)
InChIKeyNNPBMPLESHIGAE-UHFFFAOYSA-N
XLogP2.39
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-6-butylsulfanyl-5-cyano-2-pyridinyl)acetamide?
The IUPAC name of N-(4-amino-6-butylsulfanyl-5-cyano-2-pyridinyl)acetamide (CID 11601374) is N-(4-amino-6-butylsulfanyl-5-cyano-2-pyridinyl)acetamide.
What is the SMILES notation for N-(4-amino-6-butylsulfanyl-5-cyano-2-pyridinyl)acetamide?
The canonical SMILES for N-(4-amino-6-butylsulfanyl-5-cyano-2-pyridinyl)acetamide is CCCCSc1nc(NC(C)=O)cc(N)c1C#N.
What is the InChIKey of N-(4-amino-6-butylsulfanyl-5-cyano-2-pyridinyl)acetamide?
The InChIKey is NNPBMPLESHIGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-3-4-5-18-12-9(7-13)10(14)6-11(16-12)15-8(2)17/h6H,3-5H2,1-2H3,(H3,14,15,16,17).
What are the key properties of N-(4-amino-6-butylsulfanyl-5-cyano-2-pyridinyl)acetamide?
N-(4-amino-6-butylsulfanyl-5-cyano-2-pyridinyl)acetamide has a molecular weight of 264.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-6-butylsulfanyl-5-cyano-2-pyridinyl)acetamide is sourced from PubChem (CID 11601374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).