2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(cyclopenten-1-yl)-N-ethylacetamide

C18H21N3O2S — CID 18193612

IUPAC2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(cyclopenten-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CSc1nc(C)c(C(C)=O)cc1C#N)C1=CCCC1
InChIInChI=1S/C18H21N3O2S/c1-4-21(15-7-5-6-8-15)17(23)11-24-18-14(10-19)9-16(13(3)22)12(2)20-18/h7,9H,4-6,8,11H2,1-3H3
InChIKeyMQLXDZDZOLTQGT-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.47
Rot. Bonds6

About 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(cyclopenten-1-yl)-N-ethylacetamide

2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(cyclopenten-1-yl)-N-ethylacetamide (PubChem CID 18193612) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(cyclopenten-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(cyclopenten-1-yl)-N-ethylacetamide
PubChem CID18193612
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(cyclopenten-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CSc1nc(C)c(C(C)=O)cc1C#N)C1=CCCC1
InChIInChI=1S/C18H21N3O2S/c1-4-21(15-7-5-6-8-15)17(23)11-24-18-14(10-19)9-16(13(3)22)12(2)20-18/h7,9H,4-6,8,11H2,1-3H3
InChIKeyMQLXDZDZOLTQGT-UHFFFAOYSA-N
XLogP3.47
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(cyclopenten-1-yl)-N-ethylacetamide 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-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(cyclopenten-1-yl)-N-ethylacetamide?
The IUPAC name of 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(cyclopenten-1-yl)-N-ethylacetamide (CID 18193612) is 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(cyclopenten-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(cyclopenten-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(cyclopenten-1-yl)-N-ethylacetamide is CCN(C(=O)CSc1nc(C)c(C(C)=O)cc1C#N)C1=CCCC1.
What is the InChIKey of 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(cyclopenten-1-yl)-N-ethylacetamide?
The InChIKey is MQLXDZDZOLTQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-4-21(15-7-5-6-8-15)17(23)11-24-18-14(10-19)9-16(13(3)22)12(2)20-18/h7,9H,4-6,8,11H2,1-3H3.
What are the key properties of 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(cyclopenten-1-yl)-N-ethylacetamide?
2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(cyclopenten-1-yl)-N-ethylacetamide has a molecular weight of 343.45 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(cyclopenten-1-yl)-N-ethylacetamide is sourced from PubChem (CID 18193612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).