N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]formamide

C18H16N4O2S — CID 118715090

IUPACN-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]formamide
SMILESCCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC=O
InChIInChI=1S/C18H16N4O2S/c1-2-14-15(6-5-9-19-14)24-16-10-13(11-21-18(16)22-12-23)25-17-7-3-4-8-20-17/h3-12H,2H2,1H3,(H,21,22,23)
InChIKeyOKBQGRPVSXZFNX-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.95
Rot. Bonds7

About N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]formamide

N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]formamide (PubChem CID 118715090) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]formamide.

Molecular Properties

Compound NameN-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]formamide
PubChem CID118715090
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC NameN-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]formamide
SMILESCCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC=O
InChIInChI=1S/C18H16N4O2S/c1-2-14-15(6-5-9-19-14)24-16-10-13(11-21-18(16)22-12-23)25-17-7-3-4-8-20-17/h3-12H,2H2,1H3,(H,21,22,23)
InChIKeyOKBQGRPVSXZFNX-UHFFFAOYSA-N
XLogP3.95
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]formamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]formamide?
The IUPAC name of N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]formamide (CID 118715090) is N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]formamide.
What is the SMILES notation for N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]formamide?
The canonical SMILES for N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]formamide is CCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC=O.
What is the InChIKey of N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]formamide?
The InChIKey is OKBQGRPVSXZFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-2-14-15(6-5-9-19-14)24-16-10-13(11-21-18(16)22-12-23)25-17-7-3-4-8-20-17/h3-12H,2H2,1H3,(H,21,22,23).
What are the key properties of N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]formamide?
N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]formamide has a molecular weight of 352.42 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]formamide is sourced from PubChem (CID 118715090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).