N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)acetamide

C15H19N3OS — CID 1454951

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
SMILESCC1=CCCN(CC(=O)Nc2sc(C)c(C)c2C#N)C1
InChIInChI=1S/C15H19N3OS/c1-10-5-4-6-18(8-10)9-14(19)17-15-13(7-16)11(2)12(3)20-15/h5H,4,6,8-9H2,1-3H3,(H,17,19)
InChIKeyHWWXJROBBDNVCQ-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.83
Rot. Bonds3

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)acetamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)acetamide (PubChem CID 1454951) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
PubChem CID1454951
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
SMILESCC1=CCCN(CC(=O)Nc2sc(C)c(C)c2C#N)C1
InChIInChI=1S/C15H19N3OS/c1-10-5-4-6-18(8-10)9-14(19)17-15-13(7-16)11(2)12(3)20-15/h5H,4,6,8-9H2,1-3H3,(H,17,19)
InChIKeyHWWXJROBBDNVCQ-UHFFFAOYSA-N
XLogP2.83
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)acetamide (CID 1454951) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)acetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)acetamide is CC1=CCCN(CC(=O)Nc2sc(C)c(C)c2C#N)C1.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
The InChIKey is HWWXJROBBDNVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10-5-4-6-18(8-10)9-14(19)17-15-13(7-16)11(2)12(3)20-15/h5H,4,6,8-9H2,1-3H3,(H,17,19).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)acetamide has a molecular weight of 289.40 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)acetamide is sourced from PubChem (CID 1454951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).