2-amino-5-cyano-N-phenyl-6-prop-2-enylsulfanylpyridine-3-carboxamide

C16H14N4OS — CID 2197499

IUPAC2-amino-5-cyano-N-phenyl-6-prop-2-enylsulfanylpyridine-3-carboxamide
SMILESC=CCSc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N
InChIInChI=1S/C16H14N4OS/c1-2-8-22-16-11(10-17)9-13(14(18)20-16)15(21)19-12-6-4-3-5-7-12/h2-7,9H,1,8H2,(H2,18,20)(H,19,21)
InChIKeyWXUOQHWUVDTDNT-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.07
Rot. Bonds5

About 2-amino-5-cyano-N-phenyl-6-prop-2-enylsulfanylpyridine-3-carboxamide

2-amino-5-cyano-N-phenyl-6-prop-2-enylsulfanylpyridine-3-carboxamide (PubChem CID 2197499) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-amino-5-cyano-N-phenyl-6-prop-2-enylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-cyano-N-phenyl-6-prop-2-enylsulfanylpyridine-3-carboxamide
PubChem CID2197499
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name2-amino-5-cyano-N-phenyl-6-prop-2-enylsulfanylpyridine-3-carboxamide
SMILESC=CCSc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N
InChIInChI=1S/C16H14N4OS/c1-2-8-22-16-11(10-17)9-13(14(18)20-16)15(21)19-12-6-4-3-5-7-12/h2-7,9H,1,8H2,(H2,18,20)(H,19,21)
InChIKeyWXUOQHWUVDTDNT-UHFFFAOYSA-N
XLogP3.07
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,6-Dimethyl-2-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]thio}nicotinonitrile
CID 135472805
2-[[4-(4-Acetamidophenyl)-6-amino-3,5-dicyano-2-pyridinyl]sulfanyl]acetamide
CID 21893339
2-[2-(3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-acetylamino]-benzamide
CID 655086
2-[(6-amino-3,5-dicyano-2-pyridinyl)thio]-N-(2-methylphenyl)acetamide
CID 678367
2-amino-5-cyano-6-[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 16300433
5-cyano-2,4-dimethyl-6-(methylsulfanyl)-N-phenylnicotinamide
CID 657913
6-(allylthio)-2-amino-N-(2-methylphenyl)-3,5-pyridinedicarboxamide
CID 2197462
2-amino-6-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-5-cyano-N-phenylpyridine-3-carboxamide
CID 17560138
2-[(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
CID 3505506
2-[(6-Amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 698675
2-Amino-6-phenacylsulfanylpyridine-3,5-dicarbonitrile
CID 786029
2-[(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]-N-(4-cyanophenyl)acetamide
CID 3104337

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-cyano-N-phenyl-6-prop-2-enylsulfanylpyridine-3-carboxamide?
The IUPAC name of 2-amino-5-cyano-N-phenyl-6-prop-2-enylsulfanylpyridine-3-carboxamide (CID 2197499) is 2-amino-5-cyano-N-phenyl-6-prop-2-enylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-cyano-N-phenyl-6-prop-2-enylsulfanylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-cyano-N-phenyl-6-prop-2-enylsulfanylpyridine-3-carboxamide is C=CCSc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N.
What is the InChIKey of 2-amino-5-cyano-N-phenyl-6-prop-2-enylsulfanylpyridine-3-carboxamide?
The InChIKey is WXUOQHWUVDTDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c1-2-8-22-16-11(10-17)9-13(14(18)20-16)15(21)19-12-6-4-3-5-7-12/h2-7,9H,1,8H2,(H2,18,20)(H,19,21).
What are the key properties of 2-amino-5-cyano-N-phenyl-6-prop-2-enylsulfanylpyridine-3-carboxamide?
2-amino-5-cyano-N-phenyl-6-prop-2-enylsulfanylpyridine-3-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-cyano-N-phenyl-6-prop-2-enylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 2197499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).