1-[5-[[4-(trifluoromethylsulfanyl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide

C19H19F3N4O2S — CID 55701002

IUPAC1-[5-[[4-(trifluoromethylsulfanyl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(NC(=O)c3ccc(SC(F)(F)F)cc3)cn2)C1
InChIInChI=1S/C19H19F3N4O2S/c20-19(21,22)29-15-6-3-12(4-7-15)18(28)25-14-5-8-16(24-10-14)26-9-1-2-13(11-26)17(23)27/h3-8,10,13H,1-2,9,11H2,(H2,23,27)(H,25,28)
InChIKeyAGAFOJVPWCMFQP-UHFFFAOYSA-N
MW424.45 g/mol
LogP3.65
Rot. Bonds5

About 1-[5-[[4-(trifluoromethylsulfanyl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide

1-[5-[[4-(trifluoromethylsulfanyl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55701002) has the molecular formula C19H19F3N4O2S and a molecular weight of 424.45 g/mol. Its IUPAC name is 1-[5-[[4-(trifluoromethylsulfanyl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[[4-(trifluoromethylsulfanyl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID55701002
Molecular FormulaC19H19F3N4O2S
Molecular Weight424.45 g/mol
Exact Mass424.12
IUPAC Name1-[5-[[4-(trifluoromethylsulfanyl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(NC(=O)c3ccc(SC(F)(F)F)cc3)cn2)C1
InChIInChI=1S/C19H19F3N4O2S/c20-19(21,22)29-15-6-3-12(4-7-15)18(28)25-14-5-8-16(24-10-14)26-9-1-2-13(11-26)17(23)27/h3-8,10,13H,1-2,9,11H2,(H2,23,27)(H,25,28)
InChIKeyAGAFOJVPWCMFQP-UHFFFAOYSA-N
XLogP3.65
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971223
1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55967635
1-[5-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55970456
1-[5-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971087
1-[5-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700900
1-[5-[(3-cyanobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86988880
1-[5-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86962982
(3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 95312803
1-[5-[(5-methylsulfanyl-2-nitrobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971344
2-butyl-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-1,3-dioxoisoindole-5-carboxamide
CID 55968280
1-[5-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55970708
4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 43704451

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[4-(trifluoromethylsulfanyl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-[[4-(trifluoromethylsulfanyl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide (CID 55701002) is 1-[5-[[4-(trifluoromethylsulfanyl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-[[4-(trifluoromethylsulfanyl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-[[4-(trifluoromethylsulfanyl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide is NC(=O)C1CCCN(c2ccc(NC(=O)c3ccc(SC(F)(F)F)cc3)cn2)C1.
What is the InChIKey of 1-[5-[[4-(trifluoromethylsulfanyl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is AGAFOJVPWCMFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2S/c20-19(21,22)29-15-6-3-12(4-7-15)18(28)25-14-5-8-16(24-10-14)26-9-1-2-13(11-26)17(23)27/h3-8,10,13H,1-2,9,11H2,(H2,23,27)(H,25,28).
What are the key properties of 1-[5-[[4-(trifluoromethylsulfanyl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
1-[5-[[4-(trifluoromethylsulfanyl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 424.45 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[4-(trifluoromethylsulfanyl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55701002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).