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

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Related Compounds

5-acetyl-2-[2-(5-cyano-2-methyl-6-methylsulfanyl-3-pyridinyl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile
CID 2325784
2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide
CID 18197028
5-acetyl-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile
CID 18171801
2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-benzyl-N-[(1S)-1-cyclopropylethyl]acetamide
CID 37170171
tert-butyl 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetate
CID 728682
2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide
CID 18201845
5-acetyl-6-methyl-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile
CID 18171706
5-acetyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile
CID 912239
ethyl 4-[2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 18194716
5-acetyl-2-[[(1R)-2,2-dichlorocyclopropyl]methylsulfanyl]-6-methylpyridine-3-carbonitrile
CID 51545387
5-acetyl-6-methyl-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]pyridine-3-carbonitrile
CID 18171826
2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide
CID 18171823

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).