2-amino-3-N-phenyl-6-prop-2-enylsulfanylpyridine-3,5-dicarboxamide

C16H16N4O2S — CID 2142167

IUPAC2-amino-3-N-phenyl-6-prop-2-enylsulfanylpyridine-3,5-dicarboxamide
SMILESC=CCSc1nc(N)c(C(=O)Nc2ccccc2)cc1C(N)=O
InChIInChI=1S/C16H16N4O2S/c1-2-8-23-16-12(14(18)21)9-11(13(17)20-16)15(22)19-10-6-4-3-5-7-10/h2-7,9H,1,8H2,(H2,17,20)(H2,18,21)(H,19,22)
InChIKeyZZSAXDGBTSCJQM-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.29
Rot. Bonds6

About 2-amino-3-N-phenyl-6-prop-2-enylsulfanylpyridine-3,5-dicarboxamide

2-amino-3-N-phenyl-6-prop-2-enylsulfanylpyridine-3,5-dicarboxamide (PubChem CID 2142167) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-amino-3-N-phenyl-6-prop-2-enylsulfanylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-amino-3-N-phenyl-6-prop-2-enylsulfanylpyridine-3,5-dicarboxamide
PubChem CID2142167
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name2-amino-3-N-phenyl-6-prop-2-enylsulfanylpyridine-3,5-dicarboxamide
SMILESC=CCSc1nc(N)c(C(=O)Nc2ccccc2)cc1C(N)=O
InChIInChI=1S/C16H16N4O2S/c1-2-8-23-16-12(14(18)21)9-11(13(17)20-16)15(22)19-10-6-4-3-5-7-10/h2-7,9H,1,8H2,(H2,17,20)(H2,18,21)(H,19,22)
InChIKeyZZSAXDGBTSCJQM-UHFFFAOYSA-N
XLogP2.29
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-N-phenyl-6-prop-2-enylsulfanylpyridine-3,5-dicarboxamide?
The IUPAC name of 2-amino-3-N-phenyl-6-prop-2-enylsulfanylpyridine-3,5-dicarboxamide (CID 2142167) is 2-amino-3-N-phenyl-6-prop-2-enylsulfanylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 2-amino-3-N-phenyl-6-prop-2-enylsulfanylpyridine-3,5-dicarboxamide?
The canonical SMILES for 2-amino-3-N-phenyl-6-prop-2-enylsulfanylpyridine-3,5-dicarboxamide is C=CCSc1nc(N)c(C(=O)Nc2ccccc2)cc1C(N)=O.
What is the InChIKey of 2-amino-3-N-phenyl-6-prop-2-enylsulfanylpyridine-3,5-dicarboxamide?
The InChIKey is ZZSAXDGBTSCJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-2-8-23-16-12(14(18)21)9-11(13(17)20-16)15(22)19-10-6-4-3-5-7-10/h2-7,9H,1,8H2,(H2,17,20)(H2,18,21)(H,19,22).
What are the key properties of 2-amino-3-N-phenyl-6-prop-2-enylsulfanylpyridine-3,5-dicarboxamide?
2-amino-3-N-phenyl-6-prop-2-enylsulfanylpyridine-3,5-dicarboxamide has a molecular weight of 328.40 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-N-phenyl-6-prop-2-enylsulfanylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 2142167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).