4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide

C24H25FN4O4S — CID 66799580

IUPAC4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(NCCN2CCS(=O)(=O)CC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C24H25FN4O4S/c25-18-3-7-21(8-4-18)33-20-5-1-17(2-6-20)22-15-19(16-23(28-22)24(26)30)27-9-10-29-11-13-34(31,32)14-12-29/h1-8,15-16H,9-14H2,(H2,26,30)(H,27,28)
InChIKeyXKDZBVCYOICCOK-UHFFFAOYSA-N
MW484.55 g/mol
LogP2.92
Rot. Bonds8

About 4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide

4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide (PubChem CID 66799580) has the molecular formula C24H25FN4O4S and a molecular weight of 484.55 g/mol. Its IUPAC name is 4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
PubChem CID66799580
Molecular FormulaC24H25FN4O4S
Molecular Weight484.55 g/mol
Exact Mass484.16
IUPAC Name4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(NCCN2CCS(=O)(=O)CC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C24H25FN4O4S/c25-18-3-7-21(8-4-18)33-20-5-1-17(2-6-20)22-15-19(16-23(28-22)24(26)30)27-9-10-29-11-13-34(31,32)14-12-29/h1-8,15-16H,9-14H2,(H2,26,30)(H,27,28)
InChIKeyXKDZBVCYOICCOK-UHFFFAOYSA-N
XLogP2.92
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide (CID 66799580) is 4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide is NC(=O)c1cc(NCCN2CCS(=O)(=O)CC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
The InChIKey is XKDZBVCYOICCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O4S/c25-18-3-7-21(8-4-18)33-20-5-1-17(2-6-20)22-15-19(16-23(28-22)24(26)30)27-9-10-29-11-13-34(31,32)14-12-29/h1-8,15-16H,9-14H2,(H2,26,30)(H,27,28).
What are the key properties of 4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide has a molecular weight of 484.55 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 66799580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).