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

C19H22FN5O4S — CID 89094939

IUPACN-[6-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-fluoro-2-pyridinyl]-5-methoxypyridine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)C(C)(C)C(N)=N3)n2)nc1
InChIInChI=1S/C19H22FN5O4S/c1-18(2)17(21)25-19(3,10-30(18,27)28)15-12(20)6-8-14(23-15)24-16(26)13-7-5-11(29-4)9-22-13/h5-9H,10H2,1-4H3,(H2,21,25)(H,23,24,26)/t19-/m0/s1
InChIKeyMSVXRFUWKWRUDP-IBGZPJMESA-N
MW435.48 g/mol
LogP1.66
Rot. Bonds4

About N-[6-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-fluoro-2-pyridinyl]-5-methoxypyridine-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-methoxypyridine-2-carboxamide (PubChem CID 89094939) has the molecular formula C19H22FN5O4S and a molecular weight of 435.48 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-methoxypyridine-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-methoxypyridine-2-carboxamide
PubChem CID89094939
Molecular FormulaC19H22FN5O4S
Molecular Weight435.48 g/mol
Exact Mass435.14
IUPAC NameN-[6-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-fluoro-2-pyridinyl]-5-methoxypyridine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)C(C)(C)C(N)=N3)n2)nc1
InChIInChI=1S/C19H22FN5O4S/c1-18(2)17(21)25-19(3,10-30(18,27)28)15-12(20)6-8-14(23-15)24-16(26)13-7-5-11(29-4)9-22-13/h5-9H,10H2,1-4H3,(H2,21,25)(H,23,24,26)/t19-/m0/s1
InChIKeyMSVXRFUWKWRUDP-IBGZPJMESA-N
XLogP1.66
TPSA136.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 51.66
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-methoxypyridine-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-methoxypyridine-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-methoxypyridine-2-carboxamide (CID 89094939) is N-[6-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-fluoro-2-pyridinyl]-5-methoxypyridine-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-methoxypyridine-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-methoxypyridine-2-carboxamide is COc1ccc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)C(C)(C)C(N)=N3)n2)nc1.
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-methoxypyridine-2-carboxamide?
The InChIKey is MSVXRFUWKWRUDP-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22FN5O4S/c1-18(2)17(21)25-19(3,10-30(18,27)28)15-12(20)6-8-14(23-15)24-16(26)13-7-5-11(29-4)9-22-13/h5-9H,10H2,1-4H3,(H2,21,25)(H,23,24,26)/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-methoxypyridine-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-methoxypyridine-2-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 1.66, 4 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-methoxypyridine-2-carboxamide is sourced from PubChem (CID 89094939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).