N-[6-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-2-pyridinyl]-3,5-difluoropyridine-2-carboxamide

C16H16F2N6O3S — CID 75630020

IUPACN-[6-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-2-pyridinyl]-3,5-difluoropyridine-2-carboxamide
SMILESCN1C(N)=NC(C)(c2cccc(NC(=O)c3ncc(F)cc3F)n2)CS1(=O)=O
InChIInChI=1S/C16H16F2N6O3S/c1-16(8-28(26,27)24(2)15(19)23-16)11-4-3-5-12(21-11)22-14(25)13-10(18)6-9(17)7-20-13/h3-7H,8H2,1-2H3,(H2,19,23)(H,21,22,25)
InChIKeyOIKLFYNNQLUBDQ-UHFFFAOYSA-N
MW410.41 g/mol
LogP0.81
Rot. Bonds3

About N-[6-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-2-pyridinyl]-3,5-difluoropyridine-2-carboxamide

N-[6-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-2-pyridinyl]-3,5-difluoropyridine-2-carboxamide (PubChem CID 75630020) has the molecular formula C16H16F2N6O3S and a molecular weight of 410.41 g/mol. Its IUPAC name is N-[6-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-2-pyridinyl]-3,5-difluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-2-pyridinyl]-3,5-difluoropyridine-2-carboxamide
PubChem CID75630020
Molecular FormulaC16H16F2N6O3S
Molecular Weight410.41 g/mol
Exact Mass410.10
IUPAC NameN-[6-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-2-pyridinyl]-3,5-difluoropyridine-2-carboxamide
SMILESCN1C(N)=NC(C)(c2cccc(NC(=O)c3ncc(F)cc3F)n2)CS1(=O)=O
InChIInChI=1S/C16H16F2N6O3S/c1-16(8-28(26,27)24(2)15(19)23-16)11-4-3-5-12(21-11)22-14(25)13-10(18)6-9(17)7-20-13/h3-7H,8H2,1-2H3,(H2,19,23)(H,21,22,25)
InChIKeyOIKLFYNNQLUBDQ-UHFFFAOYSA-N
XLogP0.81
TPSA130.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-2-pyridinyl]-3,5-difluoropyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-2-pyridinyl]-3,5-difluoropyridine-2-carboxamide?
The IUPAC name of N-[6-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-2-pyridinyl]-3,5-difluoropyridine-2-carboxamide (CID 75630020) is N-[6-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-2-pyridinyl]-3,5-difluoropyridine-2-carboxamide.
What is the SMILES notation for N-[6-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-2-pyridinyl]-3,5-difluoropyridine-2-carboxamide?
The canonical SMILES for N-[6-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-2-pyridinyl]-3,5-difluoropyridine-2-carboxamide is CN1C(N)=NC(C)(c2cccc(NC(=O)c3ncc(F)cc3F)n2)CS1(=O)=O.
What is the InChIKey of N-[6-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-2-pyridinyl]-3,5-difluoropyridine-2-carboxamide?
The InChIKey is OIKLFYNNQLUBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N6O3S/c1-16(8-28(26,27)24(2)15(19)23-16)11-4-3-5-12(21-11)22-14(25)13-10(18)6-9(17)7-20-13/h3-7H,8H2,1-2H3,(H2,19,23)(H,21,22,25).
What are the key properties of N-[6-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-2-pyridinyl]-3,5-difluoropyridine-2-carboxamide?
N-[6-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-2-pyridinyl]-3,5-difluoropyridine-2-carboxamide has a molecular weight of 410.41 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-2-pyridinyl]-3,5-difluoropyridine-2-carboxamide is sourced from PubChem (CID 75630020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).