2-[(3-cyano-6-pyrazin-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide

C25H20N6O2S2 — CID 170459399

IUPAC2-[(3-cyano-6-pyrazin-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide
SMILESCOc1ccc(/C(C)=N/NC(=O)CSc2nc(-c3cnccn3)cc(-c3cccs3)c2C#N)cc1
InChIInChI=1S/C25H20N6O2S2/c1-16(17-5-7-18(33-2)8-6-17)30-31-24(32)15-35-25-20(13-26)19(23-4-3-11-34-23)12-21(29-25)22-14-27-9-10-28-22/h3-12,14H,15H2,1-2H3,(H,31,32)/b30-16+
InChIKeyMSQZPTBUAYMWJD-OKCVXOCRSA-N
MW500.61 g/mol
LogP4.78
Rot. Bonds8

About 2-[(3-cyano-6-pyrazin-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide

2-[(3-cyano-6-pyrazin-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide (PubChem CID 170459399) has the molecular formula C25H20N6O2S2 and a molecular weight of 500.61 g/mol. Its IUPAC name is 2-[(3-cyano-6-pyrazin-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-[(3-cyano-6-pyrazin-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide
PubChem CID170459399
Molecular FormulaC25H20N6O2S2
Molecular Weight500.61 g/mol
Exact Mass500.11
IUPAC Name2-[(3-cyano-6-pyrazin-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide
SMILESCOc1ccc(/C(C)=N/NC(=O)CSc2nc(-c3cnccn3)cc(-c3cccs3)c2C#N)cc1
InChIInChI=1S/C25H20N6O2S2/c1-16(17-5-7-18(33-2)8-6-17)30-31-24(32)15-35-25-20(13-26)19(23-4-3-11-34-23)12-21(29-25)22-14-27-9-10-28-22/h3-12,14H,15H2,1-2H3,(H,31,32)/b30-16+
InChIKeyMSQZPTBUAYMWJD-OKCVXOCRSA-N
XLogP4.78
TPSA113.15 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.61
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(3-cyano-6-pyrazin-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-oxopropylsulfanyl)-6-pyrazin-2-yl-4-thiophen-2-ylpyridine-3-carbonitrile
CID 168859889
N-(4-bromophenyl)-2-[(3-cyano-6-pyrazin-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide
CID 169491165
2-[[3-cyano-6-(4-methoxyphenyl)-4-thiophen-2-yl-2-pyridinyl]sulfanyl]-N-cyclopentylacetamide
CID 1004504
ethyl 2-[[3-cyano-6-[6-[5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-4-thiophen-2-yl-2-pyridinyl]-2-pyridinyl]-4-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate
CID 23249049
2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 4013372
methyl 2-[[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate
CID 1035693
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 5395124
2-(2-methylprop-2-enylsulfanyl)-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile
CID 681158
2-[[3-cyano-4-(4-methoxyphenyl)-6-pyridin-3-yl-2-pyridinyl]sulfanyl]acetamide
CID 46242707
2-[(3-cyano-6-naphthalen-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide
CID 1010503
2-[[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-2-phenylacetic acid
CID 2962037
2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 1041832

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6-pyrazin-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-[(3-cyano-6-pyrazin-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide (CID 170459399) is 2-[(3-cyano-6-pyrazin-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-[(3-cyano-6-pyrazin-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-[(3-cyano-6-pyrazin-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide is COc1ccc(/C(C)=N/NC(=O)CSc2nc(-c3cnccn3)cc(-c3cccs3)c2C#N)cc1.
What is the InChIKey of 2-[(3-cyano-6-pyrazin-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide?
The InChIKey is MSQZPTBUAYMWJD-OKCVXOCRSA-N. The full InChI is InChI=1S/C25H20N6O2S2/c1-16(17-5-7-18(33-2)8-6-17)30-31-24(32)15-35-25-20(13-26)19(23-4-3-11-34-23)12-21(29-25)22-14-27-9-10-28-22/h3-12,14H,15H2,1-2H3,(H,31,32)/b30-16+.
What are the key properties of 2-[(3-cyano-6-pyrazin-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide?
2-[(3-cyano-6-pyrazin-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide has a molecular weight of 500.61 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-6-pyrazin-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 170459399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).