2-(difluoromethylsulfanyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]pyridine-3-carboxamide

C17H25F2N3OS — CID 18165140

IUPAC2-(difluoromethylsulfanyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]pyridine-3-carboxamide
SMILESCN(C)C1(CNC(=O)c2cccnc2SC(F)F)CCCCCC1
InChIInChI=1S/C17H25F2N3OS/c1-22(2)17(9-5-3-4-6-10-17)12-21-14(23)13-8-7-11-20-15(13)24-16(18)19/h7-8,11,16H,3-6,9-10,12H2,1-2H3,(H,21,23)
InChIKeyJAQCQJOPWCMQNE-UHFFFAOYSA-N
MW357.47 g/mol
LogP3.78
Rot. Bonds6

About 2-(difluoromethylsulfanyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]pyridine-3-carboxamide

2-(difluoromethylsulfanyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]pyridine-3-carboxamide (PubChem CID 18165140) has the molecular formula C17H25F2N3OS and a molecular weight of 357.47 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]pyridine-3-carboxamide
PubChem CID18165140
Molecular FormulaC17H25F2N3OS
Molecular Weight357.47 g/mol
Exact Mass357.17
IUPAC Name2-(difluoromethylsulfanyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]pyridine-3-carboxamide
SMILESCN(C)C1(CNC(=O)c2cccnc2SC(F)F)CCCCCC1
InChIInChI=1S/C17H25F2N3OS/c1-22(2)17(9-5-3-4-6-10-17)12-21-14(23)13-8-7-11-20-15(13)24-16(18)19/h7-8,11,16H,3-6,9-10,12H2,1-2H3,(H,21,23)
InChIKeyJAQCQJOPWCMQNE-UHFFFAOYSA-N
XLogP3.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(difluoromethylsulfanyl)-N-[(1-hydroxycycloheptyl)methyl]pyridine-3-carboxamide
CID 111428733
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide
CID 29362543
N-[[1-(dimethylamino)cyclohexyl]methyl]pyridine-2-carboxamide
CID 4787654
N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2-carboxamide
CID 47108596
2-(difluoromethylsulfanyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 24551024
2-(difluoromethylsulfanyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide
CID 24647229
2-(difluoromethylsulfanyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyridine-3-carboxamide
CID 18161411
N-[[1-(dimethylamino)cyclobutyl]methyl]-2,3-difluorobenzamide
CID 105416225
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)benzamide
CID 105419225
2-(difluoromethylsulfanyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 17429690
2-(difluoromethylsulfanyl)-N-(2-phenylsulfanylethyl)pyridine-3-carboxamide
CID 78810821
2-(difluoromethylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 24553021

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]pyridine-3-carboxamide (CID 18165140) is 2-(difluoromethylsulfanyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]pyridine-3-carboxamide is CN(C)C1(CNC(=O)c2cccnc2SC(F)F)CCCCCC1.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]pyridine-3-carboxamide?
The InChIKey is JAQCQJOPWCMQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N3OS/c1-22(2)17(9-5-3-4-6-10-17)12-21-14(23)13-8-7-11-20-15(13)24-16(18)19/h7-8,11,16H,3-6,9-10,12H2,1-2H3,(H,21,23).
What are the key properties of 2-(difluoromethylsulfanyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]pyridine-3-carboxamide?
2-(difluoromethylsulfanyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]pyridine-3-carboxamide has a molecular weight of 357.47 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 18165140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).