2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide

C24H28FN3OS — CID 7571599

IUPAC2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1nc(SCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c(C#N)c(C)c1C
InChIInChI=1S/C24H28FN3OS/c1-16-17(2)22(13-26)24(27-18(16)3)30-15-23(29)28(21-7-5-4-6-8-21)14-19-9-11-20(25)12-10-19/h9-12,21H,4-8,14-15H2,1-3H3
InChIKeyJYCGDTPIHHHJAP-UHFFFAOYSA-N
MW425.57 g/mol
LogP5.47
Rot. Bonds6

About 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide

2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 7571599) has the molecular formula C24H28FN3OS and a molecular weight of 425.57 g/mol. Its IUPAC name is 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID7571599
Molecular FormulaC24H28FN3OS
Molecular Weight425.57 g/mol
Exact Mass425.19
IUPAC Name2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1nc(SCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c(C#N)c(C)c1C
InChIInChI=1S/C24H28FN3OS/c1-16-17(2)22(13-26)24(27-18(16)3)30-15-23(29)28(21-7-5-4-6-8-21)14-19-9-11-20(25)12-10-19/h9-12,21H,4-8,14-15H2,1-3H3
InChIKeyJYCGDTPIHHHJAP-UHFFFAOYSA-N
XLogP5.47
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.57
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-((3-Cyano-6-(4-methylphenyl)-4-(trifluoromethyl)-2-pyridinyl)sulfanyl)-N-phenylacetamide
CID 3288231
2-{[3-cyano-6-methyl-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N,N-diethylacetamide
CID 551775
2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-cyclopropylacetamide
CID 658164
2-{[2-oxo-2-(1-piperidinyl)ethyl]thio}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 710311
2-(4-Cyano-1-p-tolyl-5,6,7,8-tetrahydro-isoquinolin-3-ylsulfanyl)-acetamide
CID 929998
N-benzyl-2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-ethylacetamide
CID 5223232
2-[[2-[3-Cyano-4-(4-fluorophenyl)-6-phenylpyridin-2-yl]sulfanylacetyl]amino]acetic acid
CID 1886771
2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N,N-diethylacetamide
CID 744025
2-((3-Cyano-6-(4-F-PH)-4-(trifluoromethyl)-2-pyridinyl)thio)-N-phenylacetamide
CID 3854561
2-(3-Cyano-6-methyl-4-phenyl-pyridin-2-ylsulfanyl)-acetamide
CID 648486
2-{[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
CID 657904
2-[(6-tert-butyl-3-cyano-4-phenylpyridin-2-yl)sulfanyl]-N-phenylpropanamide
CID 3166940

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide (CID 7571599) is 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide is Cc1nc(SCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c(C#N)c(C)c1C.
What is the InChIKey of 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is JYCGDTPIHHHJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3OS/c1-16-17(2)22(13-26)24(27-18(16)3)30-15-23(29)28(21-7-5-4-6-8-21)14-19-9-11-20(25)12-10-19/h9-12,21H,4-8,14-15H2,1-3H3.
What are the key properties of 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide?
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 425.57 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 7571599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).