2-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile

C17H24N4OS — CID 24674777

IUPAC2-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile
SMILESCCN1CCN(C(=O)C(C)Sc2nc(C)cc(C)c2C#N)CC1
InChIInChI=1S/C17H24N4OS/c1-5-20-6-8-21(9-7-20)17(22)14(4)23-16-15(11-18)12(2)10-13(3)19-16/h10,14H,5-9H2,1-4H3
InChIKeyLJPXSQZIYYIWSQ-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.21
Rot. Bonds4

About 2-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile

2-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 24674777) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile
PubChem CID24674777
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name2-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile
SMILESCCN1CCN(C(=O)C(C)Sc2nc(C)cc(C)c2C#N)CC1
InChIInChI=1S/C17H24N4OS/c1-5-20-6-8-21(9-7-20)17(22)14(4)23-16-15(11-18)12(2)10-13(3)19-16/h10,14H,5-9H2,1-4H3
InChIKeyLJPXSQZIYYIWSQ-UHFFFAOYSA-N
XLogP2.21
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile with MolForge

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Related Compounds

4,6-dimethyl-2-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanylpyridine-3-carbonitrile
CID 40953021
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanoic acid
CID 5175428
2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 4883737
2-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile
CID 134037652
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N,N-dimethylpropanamide
CID 51209606
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 4783745
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)propanamide
CID 134037737
(2R)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-cyclopropylpropanamide
CID 40552292
1-[2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanoyl]piperidine-4-carboxamide
CID 134038484
ethyl 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-3-oxobutanoate
CID 5120726
2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 17432104
4,5,6-trimethyl-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanylpyridine-3-carbonitrile
CID 17451527

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile (CID 24674777) is 2-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile is CCN1CCN(C(=O)C(C)Sc2nc(C)cc(C)c2C#N)CC1.
What is the InChIKey of 2-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is LJPXSQZIYYIWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-5-20-6-8-21(9-7-20)17(22)14(4)23-16-15(11-18)12(2)10-13(3)19-16/h10,14H,5-9H2,1-4H3.
What are the key properties of 2-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile?
2-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 332.47 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 24674777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).