2-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide

C14H17F2N3OS — CID 17025009

IUPAC2-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide
SMILESCc1cc(C(F)F)nc(SCC(=O)NCC(C)C)c1C#N
InChIInChI=1S/C14H17F2N3OS/c1-8(2)6-18-12(20)7-21-14-10(5-17)9(3)4-11(19-14)13(15)16/h4,8,13H,6-7H2,1-3H3,(H,18,20)
InChIKeyBQTLOGMNTXZCNN-UHFFFAOYSA-N
MW313.37 g/mol
LogP3.06
Rot. Bonds6

About 2-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide

2-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide (PubChem CID 17025009) has the molecular formula C14H17F2N3OS and a molecular weight of 313.37 g/mol. Its IUPAC name is 2-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide
PubChem CID17025009
Molecular FormulaC14H17F2N3OS
Molecular Weight313.37 g/mol
Exact Mass313.11
IUPAC Name2-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide
SMILESCc1cc(C(F)F)nc(SCC(=O)NCC(C)C)c1C#N
InChIInChI=1S/C14H17F2N3OS/c1-8(2)6-18-12(20)7-21-14-10(5-17)9(3)4-11(19-14)13(15)16/h4,8,13H,6-7H2,1-3H3,(H,18,20)
InChIKeyBQTLOGMNTXZCNN-UHFFFAOYSA-N
XLogP3.06
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide with MolForge

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Related Compounds

2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 7491456
2-[[3-cyano-4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide
CID 17024923
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-pentylacetamide
CID 40668122
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 40552208
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(ethylcarbamoyl)acetamide
CID 2673173
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
CID 47095842
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide
CID 690403
methyl 4-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]benzoate
CID 1117459
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 31235022
4-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]benzoic acid
CID 2393766
N-(4-acetylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide
CID 609573
4,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile
CID 703070

Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide (CID 17025009) is 2-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide is Cc1cc(C(F)F)nc(SCC(=O)NCC(C)C)c1C#N.
What is the InChIKey of 2-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide?
The InChIKey is BQTLOGMNTXZCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3OS/c1-8(2)6-18-12(20)7-21-14-10(5-17)9(3)4-11(19-14)13(15)16/h4,8,13H,6-7H2,1-3H3,(H,18,20).
What are the key properties of 2-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide?
2-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide has a molecular weight of 313.37 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 17025009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).