(E)-2-cyano-3-[5-(4,6-dimethylpyrimidin-2-yl)sulfanylfuran-2-yl]-N-pyridin-3-ylprop-2-enamide

C19H15N5O2S — CID 126152982

IUPAC(E)-2-cyano-3-[5-(4,6-dimethylpyrimidin-2-yl)sulfanylfuran-2-yl]-N-pyridin-3-ylprop-2-enamide
SMILESCc1cc(C)nc(Sc2ccc(/C=C(\C#N)C(=O)Nc3cccnc3)o2)n1
InChIInChI=1S/C19H15N5O2S/c1-12-8-13(2)23-19(22-12)27-17-6-5-16(26-17)9-14(10-20)18(25)24-15-4-3-7-21-11-15/h3-9,11H,1-2H3,(H,24,25)/b14-9+
InChIKeyVKHOQFKQVXTLHX-NTEUORMPSA-N
MW377.43 g/mol
LogP3.78
Rot. Bonds5

About (E)-2-cyano-3-[5-(4,6-dimethylpyrimidin-2-yl)sulfanylfuran-2-yl]-N-pyridin-3-ylprop-2-enamide

(E)-2-cyano-3-[5-(4,6-dimethylpyrimidin-2-yl)sulfanylfuran-2-yl]-N-pyridin-3-ylprop-2-enamide (PubChem CID 126152982) has the molecular formula C19H15N5O2S and a molecular weight of 377.43 g/mol. Its IUPAC name is (E)-2-cyano-3-[5-(4,6-dimethylpyrimidin-2-yl)sulfanylfuran-2-yl]-N-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-[5-(4,6-dimethylpyrimidin-2-yl)sulfanylfuran-2-yl]-N-pyridin-3-ylprop-2-enamide
PubChem CID126152982
Molecular FormulaC19H15N5O2S
Molecular Weight377.43 g/mol
Exact Mass377.09
IUPAC Name(E)-2-cyano-3-[5-(4,6-dimethylpyrimidin-2-yl)sulfanylfuran-2-yl]-N-pyridin-3-ylprop-2-enamide
SMILESCc1cc(C)nc(Sc2ccc(/C=C(\C#N)C(=O)Nc3cccnc3)o2)n1
InChIInChI=1S/C19H15N5O2S/c1-12-8-13(2)23-19(22-12)27-17-6-5-16(26-17)9-14(10-20)18(25)24-15-4-3-7-21-11-15/h3-9,11H,1-2H3,(H,24,25)/b14-9+
InChIKeyVKHOQFKQVXTLHX-NTEUORMPSA-N
XLogP3.78
TPSA104.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-2-cyano-3-[5-(4,6-dimethylpyrimidin-2-yl)sulfanylfuran-2-yl]-N-pyridin-3-ylprop-2-enamide with MolForge

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Related Compounds

2-cyano-N-(2,5-dimethylphenyl)-3-[5-(4,6-dimethylpyrimidin-2-yl)sulfanylfuran-2-yl]prop-2-enamide
CID 1021385
(E)-3-[4-bromo-5-(4-methylpyrimidin-2-yl)sulfanylfuran-2-yl]-2-cyano-N-pyridin-3-ylprop-2-enamide
CID 126282681
3-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-2-cyano-N-(3-methoxyphenyl)prop-2-enamide
CID 3848071
(E)-3-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]-2-cyano-N-phenylprop-2-enamide
CID 126000497
(Z)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-cyano-N-(4-methylphenyl)prop-2-enamide
CID 21212311
(E)-2-cyano-3-(2,4-dichlorophenyl)-N-pyridin-3-ylprop-2-enamide
CID 112979270
(E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-pyridin-3-ylprop-2-enamide
CID 112979254
(E)-2-cyano-3-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-nitrophenyl]-N-phenylprop-2-enamide
CID 126149204
(E)-3-[4-bromo-5-(4-methylpyrimidin-2-yl)sulfanylfuran-2-yl]-2-cyano-N-(4-methylphenyl)prop-2-enamide
CID 126279256
(E)-2-cyano-N-methyl-3-(5-phenylsulfanylfuran-2-yl)prop-2-enamide
CID 878990
(E)-N-(3-chlorophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamide
CID 1372972
2-cyano-N-(2,3-dimethylphenyl)-3-(5-phenylsulfanylfuran-2-yl)prop-2-enamide
CID 1366613

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-[5-(4,6-dimethylpyrimidin-2-yl)sulfanylfuran-2-yl]-N-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-2-cyano-3-[5-(4,6-dimethylpyrimidin-2-yl)sulfanylfuran-2-yl]-N-pyridin-3-ylprop-2-enamide (CID 126152982) is (E)-2-cyano-3-[5-(4,6-dimethylpyrimidin-2-yl)sulfanylfuran-2-yl]-N-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-[5-(4,6-dimethylpyrimidin-2-yl)sulfanylfuran-2-yl]-N-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-[5-(4,6-dimethylpyrimidin-2-yl)sulfanylfuran-2-yl]-N-pyridin-3-ylprop-2-enamide is Cc1cc(C)nc(Sc2ccc(/C=C(\C#N)C(=O)Nc3cccnc3)o2)n1.
What is the InChIKey of (E)-2-cyano-3-[5-(4,6-dimethylpyrimidin-2-yl)sulfanylfuran-2-yl]-N-pyridin-3-ylprop-2-enamide?
The InChIKey is VKHOQFKQVXTLHX-NTEUORMPSA-N. The full InChI is InChI=1S/C19H15N5O2S/c1-12-8-13(2)23-19(22-12)27-17-6-5-16(26-17)9-14(10-20)18(25)24-15-4-3-7-21-11-15/h3-9,11H,1-2H3,(H,24,25)/b14-9+.
What are the key properties of (E)-2-cyano-3-[5-(4,6-dimethylpyrimidin-2-yl)sulfanylfuran-2-yl]-N-pyridin-3-ylprop-2-enamide?
(E)-2-cyano-3-[5-(4,6-dimethylpyrimidin-2-yl)sulfanylfuran-2-yl]-N-pyridin-3-ylprop-2-enamide has a molecular weight of 377.43 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-[5-(4,6-dimethylpyrimidin-2-yl)sulfanylfuran-2-yl]-N-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 126152982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).