[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate

C24H16N4O4 — CID 23940783

IUPAC[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESN#Cc1c(NC(=O)COC(=O)c2cnccn2)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H16N4O4/c25-13-18-21(16-7-3-1-4-8-16)22(17-9-5-2-6-10-17)32-23(18)28-20(29)15-31-24(30)19-14-26-11-12-27-19/h1-12,14H,15H2,(H,28,29)
InChIKeyJHJLRMVCTCZTSA-UHFFFAOYSA-N
MW424.42 g/mol
LogP4.07
Rot. Bonds6

About [2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate

[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 23940783) has the molecular formula C24H16N4O4 and a molecular weight of 424.42 g/mol. Its IUPAC name is [2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID23940783
Molecular FormulaC24H16N4O4
Molecular Weight424.42 g/mol
Exact Mass424.12
IUPAC Name[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESN#Cc1c(NC(=O)COC(=O)c2cnccn2)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H16N4O4/c25-13-18-21(16-7-3-1-4-8-16)22(17-9-5-2-6-10-17)32-23(18)28-20(29)15-31-24(30)19-14-26-11-12-27-19/h1-12,14H,15H2,(H,28,29)
InChIKeyJHJLRMVCTCZTSA-UHFFFAOYSA-N
XLogP4.07
TPSA118.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate 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-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 4-formylbenzoate
CID 23876644
[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 23993962
2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide
CID 3550941
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(3,4-dimethylphenoxy)acetamide
CID 108757727
[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2475392
[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23799884
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-phenylsulfanylacetamide
CID 2234351
3-(2-chlorophenoxy)-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide
CID 108802318
N-(3-cyano-4,5-diphenylfuran-2-yl)-3-(4-methylphenoxy)propanamide
CID 108802771
2-[[2-(pyrazine-2-carbonyloxy)acetyl]amino]benzoic acid
CID 23972998
ethyl 6-[(3-cyano-4,5-diphenylfuran-2-yl)amino]pyridazine-3-carboxylate
CID 108774402
[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 23822759

Frequently Asked Questions

What is the IUPAC name of [2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate (CID 23940783) is [2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate is N#Cc1c(NC(=O)COC(=O)c2cnccn2)oc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of [2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is JHJLRMVCTCZTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4O4/c25-13-18-21(16-7-3-1-4-8-16)22(17-9-5-2-6-10-17)32-23(18)28-20(29)15-31-24(30)19-14-26-11-12-27-19/h1-12,14H,15H2,(H,28,29).
What are the key properties of [2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate?
[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate has a molecular weight of 424.42 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 23940783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).