N-[6-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide

C19H19FN6O3S — CID 89095119

IUPACN-[6-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide
SMILESCC1(C)C(N)=N[C@](C)(c2nc(NC(=O)c3ccc(C#N)cn3)ccc2F)CS1(=O)=O
InChIInChI=1S/C19H19FN6O3S/c1-18(2)17(22)26-19(3,10-30(18,28)29)15-12(20)5-7-14(24-15)25-16(27)13-6-4-11(8-21)9-23-13/h4-7,9H,10H2,1-3H3,(H2,22,26)(H,24,25,27)/t19-/m0/s1
InChIKeyLTYYZTCFGRCEBL-IBGZPJMESA-N
MW430.47 g/mol
LogP1.52
Rot. Bonds3

About N-[6-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide

N-[6-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide (PubChem CID 89095119) has the molecular formula C19H19FN6O3S and a molecular weight of 430.47 g/mol. Its IUPAC name is N-[6-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide
PubChem CID89095119
Molecular FormulaC19H19FN6O3S
Molecular Weight430.47 g/mol
Exact Mass430.12
IUPAC NameN-[6-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide
SMILESCC1(C)C(N)=N[C@](C)(c2nc(NC(=O)c3ccc(C#N)cn3)ccc2F)CS1(=O)=O
InChIInChI=1S/C19H19FN6O3S/c1-18(2)17(22)26-19(3,10-30(18,28)29)15-12(20)5-7-14(24-15)25-16(27)13-6-4-11(8-21)9-23-13/h4-7,9H,10H2,1-3H3,(H2,22,26)(H,24,25,27)/t19-/m0/s1
InChIKeyLTYYZTCFGRCEBL-IBGZPJMESA-N
XLogP1.52
TPSA151.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[6-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide?
The IUPAC name of N-[6-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide (CID 89095119) is N-[6-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-[6-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide?
The canonical SMILES for N-[6-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide is CC1(C)C(N)=N[C@](C)(c2nc(NC(=O)c3ccc(C#N)cn3)ccc2F)CS1(=O)=O.
What is the InChIKey of N-[6-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide?
The InChIKey is LTYYZTCFGRCEBL-IBGZPJMESA-N. The full InChI is InChI=1S/C19H19FN6O3S/c1-18(2)17(22)26-19(3,10-30(18,28)29)15-12(20)5-7-14(24-15)25-16(27)13-6-4-11(8-21)9-23-13/h4-7,9H,10H2,1-3H3,(H2,22,26)(H,24,25,27)/t19-/m0/s1.
What are the key properties of N-[6-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide?
N-[6-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 89095119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).