2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide

C20H22N4O2S — CID 31235022

IUPAC2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1cc(C)c(C#N)c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C20H22N4O2S/c1-14-11-15(2)22-20(18(14)12-21)27-13-19(25)23-16-3-5-17(6-4-16)24-7-9-26-10-8-24/h3-6,11H,7-10,13H2,1-2H3,(H,23,25)
InChIKeyVQRFKBDDKKJHKL-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.14
Rot. Bonds5

About 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide

2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 31235022) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID31235022
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1cc(C)c(C#N)c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C20H22N4O2S/c1-14-11-15(2)22-20(18(14)12-21)27-13-19(25)23-16-3-5-17(6-4-16)24-7-9-26-10-8-24/h3-6,11H,7-10,13H2,1-2H3,(H,23,25)
InChIKeyVQRFKBDDKKJHKL-UHFFFAOYSA-N
XLogP3.14
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide 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 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide (CID 31235022) is 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide is Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)n1.
What is the InChIKey of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is VQRFKBDDKKJHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-14-11-15(2)22-20(18(14)12-21)27-13-19(25)23-16-3-5-17(6-4-16)24-7-9-26-10-8-24/h3-6,11H,7-10,13H2,1-2H3,(H,23,25).
What are the key properties of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 382.49 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 31235022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).