4-N-(4-cyanophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide

C18H16N4O4S — CID 109088380

IUPAC4-N-(4-cyanophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide
SMILESN#Cc1ccc(NC(=O)c2ccnc(C(=O)NC3CCS(=O)(=O)C3)c2)cc1
InChIInChI=1S/C18H16N4O4S/c19-10-12-1-3-14(4-2-12)21-17(23)13-5-7-20-16(9-13)18(24)22-15-6-8-27(25,26)11-15/h1-5,7,9,15H,6,8,11H2,(H,21,23)(H,22,24)
InChIKeyJFUWLEYOPKQMIJ-UHFFFAOYSA-N
MW384.42 g/mol
LogP1.12
Rot. Bonds4

About 4-N-(4-cyanophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide

4-N-(4-cyanophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide (PubChem CID 109088380) has the molecular formula C18H16N4O4S and a molecular weight of 384.42 g/mol. Its IUPAC name is 4-N-(4-cyanophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-cyanophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide
PubChem CID109088380
Molecular FormulaC18H16N4O4S
Molecular Weight384.42 g/mol
Exact Mass384.09
IUPAC Name4-N-(4-cyanophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide
SMILESN#Cc1ccc(NC(=O)c2ccnc(C(=O)NC3CCS(=O)(=O)C3)c2)cc1
InChIInChI=1S/C18H16N4O4S/c19-10-12-1-3-14(4-2-12)21-17(23)13-5-7-20-16(9-13)18(24)22-15-6-8-27(25,26)11-15/h1-5,7,9,15H,6,8,11H2,(H,21,23)(H,22,24)
InChIKeyJFUWLEYOPKQMIJ-UHFFFAOYSA-N
XLogP1.12
TPSA129.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(4-cyanophenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109081016
2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109088375
2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109088353
4-N-(3-chlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide
CID 109088370
4-cyano-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7123831
4-cyano-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7123830
4-N-(2,4-dimethylphenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide
CID 109088358
4-N-(1,1-dioxothiolan-3-yl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077860
N-(1,1-dioxothiolan-3-yl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081063
4-N-tert-butyl-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109089232
2-N-[3-(dimethylamino)propyl]-4-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide
CID 109084031
4-N-(4-cyanophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087689

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-cyanophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(4-cyanophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide (CID 109088380) is 4-N-(4-cyanophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-cyanophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(4-cyanophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide is N#Cc1ccc(NC(=O)c2ccnc(C(=O)NC3CCS(=O)(=O)C3)c2)cc1.
What is the InChIKey of 4-N-(4-cyanophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide?
The InChIKey is JFUWLEYOPKQMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4S/c19-10-12-1-3-14(4-2-12)21-17(23)13-5-7-20-16(9-13)18(24)22-15-6-8-27(25,26)11-15/h1-5,7,9,15H,6,8,11H2,(H,21,23)(H,22,24).
What are the key properties of 4-N-(4-cyanophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide?
4-N-(4-cyanophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide has a molecular weight of 384.42 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-cyanophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109088380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).