[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]carbamate

C19H20N4O5S — CID 89258568

IUPAC[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]carbamate
SMILESCCc1cc(-c2cncc(OC(=O)NCCN3C(=O)CSC3=O)c2)c(C)[nH]c1=O
InChIInChI=1S/C19H20N4O5S/c1-3-12-7-15(11(2)22-17(12)25)13-6-14(9-20-8-13)28-18(26)21-4-5-23-16(24)10-29-19(23)27/h6-9H,3-5,10H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyUGQYPFYQPKCQDU-UHFFFAOYSA-N
MW416.46 g/mol
LogP2.09
Rot. Bonds6

About [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]carbamate

[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]carbamate (PubChem CID 89258568) has the molecular formula C19H20N4O5S and a molecular weight of 416.46 g/mol. Its IUPAC name is [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]carbamate.

Molecular Properties

Compound Name[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]carbamate
PubChem CID89258568
Molecular FormulaC19H20N4O5S
Molecular Weight416.46 g/mol
Exact Mass416.12
IUPAC Name[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]carbamate
SMILESCCc1cc(-c2cncc(OC(=O)NCCN3C(=O)CSC3=O)c2)c(C)[nH]c1=O
InChIInChI=1S/C19H20N4O5S/c1-3-12-7-15(11(2)22-17(12)25)13-6-14(9-20-8-13)28-18(26)21-4-5-23-16(24)10-29-19(23)27/h6-9H,3-5,10H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyUGQYPFYQPKCQDU-UHFFFAOYSA-N
XLogP2.09
TPSA121.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]carbamate?
The IUPAC name of [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]carbamate (CID 89258568) is [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]carbamate.
What is the SMILES notation for [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]carbamate?
The canonical SMILES for [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]carbamate is CCc1cc(-c2cncc(OC(=O)NCCN3C(=O)CSC3=O)c2)c(C)[nH]c1=O.
What is the InChIKey of [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]carbamate?
The InChIKey is UGQYPFYQPKCQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5S/c1-3-12-7-15(11(2)22-17(12)25)13-6-14(9-20-8-13)28-18(26)21-4-5-23-16(24)10-29-19(23)27/h6-9H,3-5,10H2,1-2H3,(H,21,26)(H,22,25).
What are the key properties of [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]carbamate?
[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]carbamate has a molecular weight of 416.46 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]carbamate is sourced from PubChem (CID 89258568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).