N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-pyridin-2-ylsulfanylacetamide

C16H22N4OS — CID 91775450

IUPACN-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-pyridin-2-ylsulfanylacetamide
SMILESCCn1nc(C)c(C(C)NC(=O)CSc2ccccn2)c1C
InChIInChI=1S/C16H22N4OS/c1-5-20-13(4)16(12(3)19-20)11(2)18-14(21)10-22-15-8-6-7-9-17-15/h6-9,11H,5,10H2,1-4H3,(H,18,21)
InChIKeyYOEZBLSKLJSWHJ-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.88
Rot. Bonds6

About N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-pyridin-2-ylsulfanylacetamide

N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 91775450) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-pyridin-2-ylsulfanylacetamide
PubChem CID91775450
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC NameN-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-pyridin-2-ylsulfanylacetamide
SMILESCCn1nc(C)c(C(C)NC(=O)CSc2ccccn2)c1C
InChIInChI=1S/C16H22N4OS/c1-5-20-13(4)16(12(3)19-20)11(2)18-14(21)10-22-15-8-6-7-9-17-15/h6-9,11H,5,10H2,1-4H3,(H,18,21)
InChIKeyYOEZBLSKLJSWHJ-UHFFFAOYSA-N
XLogP2.88
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-phenylethyl]-2-pyridin-2-ylsulfanylacetamide
CID 684786
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 118793475
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-thiophen-2-ylbutanamide
CID 131916941
methyl (2R,3S)-3-methyl-2-[(2-pyridin-2-ylsulfanylacetyl)amino]pentanoate
CID 9347438
N-[(1R)-1-phenylethyl]-3-pyridin-2-ylsulfanylpropanamide
CID 95139924
N-(2-hydroxypropyl)-2-pyridin-2-ylsulfanylacetamide
CID 3260207
N'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide
CID 37063876
2-[(5-methyl-2-pyridinyl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 134007796
N-[(1S)-1-[4-methyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-2-pyridin-2-ylsulfanylacetamide
CID 42468779
3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propanamide
CID 125167544
N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 7027156
N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
CID 687330

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-pyridin-2-ylsulfanylacetamide (CID 91775450) is N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-pyridin-2-ylsulfanylacetamide is CCn1nc(C)c(C(C)NC(=O)CSc2ccccn2)c1C.
What is the InChIKey of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is YOEZBLSKLJSWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-5-20-13(4)16(12(3)19-20)11(2)18-14(21)10-22-15-8-6-7-9-17-15/h6-9,11H,5,10H2,1-4H3,(H,18,21).
What are the key properties of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-pyridin-2-ylsulfanylacetamide?
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 318.45 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 91775450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).