N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-4-ylsulfanylacetamide

C16H19N3OS — CID 91766152

IUPACN-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-4-ylsulfanylacetamide
SMILESCCc1ccc(CN(C)C(=O)CSc2ccncc2)nc1
InChIInChI=1S/C16H19N3OS/c1-3-13-4-5-14(18-10-13)11-19(2)16(20)12-21-15-6-8-17-9-7-15/h4-10H,3,11-12H2,1-2H3
InChIKeyIWHFLUZSGQHYDK-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.79
Rot. Bonds6

About N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-4-ylsulfanylacetamide

N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-4-ylsulfanylacetamide (PubChem CID 91766152) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-4-ylsulfanylacetamide
PubChem CID91766152
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC NameN-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-4-ylsulfanylacetamide
SMILESCCc1ccc(CN(C)C(=O)CSc2ccncc2)nc1
InChIInChI=1S/C16H19N3OS/c1-3-13-4-5-14(18-10-13)11-19(2)16(20)12-21-15-6-8-17-9-7-15/h4-10H,3,11-12H2,1-2H3
InChIKeyIWHFLUZSGQHYDK-UHFFFAOYSA-N
XLogP2.79
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-4-ylsulfanylacetamide (CID 91766152) is N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-4-ylsulfanylacetamide is CCc1ccc(CN(C)C(=O)CSc2ccncc2)nc1.
What is the InChIKey of N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is IWHFLUZSGQHYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-3-13-4-5-14(18-10-13)11-19(2)16(20)12-21-15-6-8-17-9-7-15/h4-10H,3,11-12H2,1-2H3.
What are the key properties of N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-4-ylsulfanylacetamide?
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 301.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 91766152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).