6-amino-5-cyano-N-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide

C14H14N4OS — CID 2771297

IUPAC6-amino-5-cyano-N-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide
SMILESCNC(=O)C1C(=S)NC(N)=C(C#N)C1c1ccccc1
InChIInChI=1S/C14H14N4OS/c1-17-13(19)11-10(8-5-3-2-4-6-8)9(7-15)12(16)18-14(11)20/h2-6,10-11H,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyUMACFRGFIPWFNX-UHFFFAOYSA-N
MW286.36 g/mol
LogP0.76
Rot. Bonds2

About 6-amino-5-cyano-N-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide

6-amino-5-cyano-N-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide (PubChem CID 2771297) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 6-amino-5-cyano-N-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-cyano-N-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide
PubChem CID2771297
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name6-amino-5-cyano-N-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide
SMILESCNC(=O)C1C(=S)NC(N)=C(C#N)C1c1ccccc1
InChIInChI=1S/C14H14N4OS/c1-17-13(19)11-10(8-5-3-2-4-6-8)9(7-15)12(16)18-14(11)20/h2-6,10-11H,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyUMACFRGFIPWFNX-UHFFFAOYSA-N
XLogP0.76
TPSA90.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-cyano-N-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide?
The IUPAC name of 6-amino-5-cyano-N-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide (CID 2771297) is 6-amino-5-cyano-N-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-5-cyano-N-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-amino-5-cyano-N-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide is CNC(=O)C1C(=S)NC(N)=C(C#N)C1c1ccccc1.
What is the InChIKey of 6-amino-5-cyano-N-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide?
The InChIKey is UMACFRGFIPWFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-17-13(19)11-10(8-5-3-2-4-6-8)9(7-15)12(16)18-14(11)20/h2-6,10-11H,16H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 6-amino-5-cyano-N-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide?
6-amino-5-cyano-N-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-cyano-N-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide is sourced from PubChem (CID 2771297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).