5-(4-chlorophenyl)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C18H17ClF3N3O4S — CID 71294012

IUPAC5-(4-chlorophenyl)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NN1CCS(=O)(=O)CC1)c1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H17ClF3N3O4S/c19-14-3-1-12(2-4-14)15-9-13(10-23-17(15)29-11-18(20,21)22)16(26)24-25-5-7-30(27,28)8-6-25/h1-4,9-10H,5-8,11H2,(H,24,26)
InChIKeyJFAPMSSRPJKNSA-UHFFFAOYSA-N
MW463.87 g/mol
LogP2.72
Rot. Bonds5

About 5-(4-chlorophenyl)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

5-(4-chlorophenyl)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 71294012) has the molecular formula C18H17ClF3N3O4S and a molecular weight of 463.87 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID71294012
Molecular FormulaC18H17ClF3N3O4S
Molecular Weight463.87 g/mol
Exact Mass463.06
IUPAC Name5-(4-chlorophenyl)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NN1CCS(=O)(=O)CC1)c1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H17ClF3N3O4S/c19-14-3-1-12(2-4-14)15-9-13(10-23-17(15)29-11-18(20,21)22)16(26)24-25-5-7-30(27,28)8-6-25/h1-4,9-10H,5-8,11H2,(H,24,26)
InChIKeyJFAPMSSRPJKNSA-UHFFFAOYSA-N
XLogP2.72
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.87
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-chlorophenyl)-N-[4-(2-hydroxyethyl)piperidin-1-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 71293948
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 11952383
5-(4-chlorophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 67971298
5-[[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamoyl]pyridine-3-carboxylic acid
CID 67280524
5-(4-chlorophenyl)-N-[[1-(cyclopropylmethyl)pyrazol-3-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 56929461
2-[[5-(3,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid
CID 67971457
5-(4-chlorophenyl)-N-[1-(1H-pyrazol-5-yl)butyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 66686841
2-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-phenylethanone
CID 149327782
2-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-pyrimidin-5-ylethanone
CID 149147838
5-(3,4-dichlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 146505274
5-[3-(aminomethyl)-4-chlorophenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid
CID 150739401
N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methylfuran-2-carboxamide
CID 56961282

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 71294012) is 5-(4-chlorophenyl)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(NN1CCS(=O)(=O)CC1)c1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is JFAPMSSRPJKNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N3O4S/c19-14-3-1-12(2-4-14)15-9-13(10-23-17(15)29-11-18(20,21)22)16(26)24-25-5-7-30(27,28)8-6-25/h1-4,9-10H,5-8,11H2,(H,24,26).
What are the key properties of 5-(4-chlorophenyl)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
5-(4-chlorophenyl)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 463.87 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 71294012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).