N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyridine-2-carboxamide

C15H15N3O3S — CID 42443525

IUPACN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccccn1
InChIInChI=1S/C15H15N3O3S/c19-15(14-4-1-2-9-16-14)17-12-5-7-13(8-6-12)18-10-3-11-22(18,20)21/h1-2,4-9H,3,10-11H2,(H,17,19)
InChIKeyADJZIASNARTHAF-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.87
Rot. Bonds3

About N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyridine-2-carboxamide

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyridine-2-carboxamide (PubChem CID 42443525) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyridine-2-carboxamide
PubChem CID42443525
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccccn1
InChIInChI=1S/C15H15N3O3S/c19-15(14-4-1-2-9-16-14)17-12-5-7-13(8-6-12)18-10-3-11-22(18,20)21/h1-2,4-9H,3,10-11H2,(H,17,19)
InChIKeyADJZIASNARTHAF-UHFFFAOYSA-N
XLogP1.87
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyridine-2-carboxamide (CID 42443525) is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccccn1.
What is the InChIKey of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is ADJZIASNARTHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c19-15(14-4-1-2-9-16-14)17-12-5-7-13(8-6-12)18-10-3-11-22(18,20)21/h1-2,4-9H,3,10-11H2,(H,17,19).
What are the key properties of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyridine-2-carboxamide?
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 42443525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).