N-[3-[(3R)-5-amino-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-3-yl]-4,5-difluorophenyl]-5-methoxypyridine-2-carboxamide

C19H20F2N4O4S — CID 126634332

IUPACN-[3-[(3R)-5-amino-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-3-yl]-4,5-difluorophenyl]-5-methoxypyridine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2cc(F)c(F)c([C@@H]3CS(=O)(=O)C(C)(C)C(N)=N3)c2)nc1
InChIInChI=1S/C19H20F2N4O4S/c1-19(2)18(22)25-15(9-30(19,27)28)12-6-10(7-13(20)16(12)21)24-17(26)14-5-4-11(29-3)8-23-14/h4-8,15H,9H2,1-3H3,(H2,22,25)(H,24,26)/t15-/m0/s1
InChIKeyHNCJAQVJGMVECC-HNNXBMFYSA-N
MW438.46 g/mol
LogP2.23
Rot. Bonds4

About N-[3-[(3R)-5-amino-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-3-yl]-4,5-difluorophenyl]-5-methoxypyridine-2-carboxamide

N-[3-[(3R)-5-amino-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-3-yl]-4,5-difluorophenyl]-5-methoxypyridine-2-carboxamide (PubChem CID 126634332) has the molecular formula C19H20F2N4O4S and a molecular weight of 438.46 g/mol. Its IUPAC name is N-[3-[(3R)-5-amino-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-3-yl]-4,5-difluorophenyl]-5-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3R)-5-amino-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-3-yl]-4,5-difluorophenyl]-5-methoxypyridine-2-carboxamide
PubChem CID126634332
Molecular FormulaC19H20F2N4O4S
Molecular Weight438.46 g/mol
Exact Mass438.12
IUPAC NameN-[3-[(3R)-5-amino-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-3-yl]-4,5-difluorophenyl]-5-methoxypyridine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2cc(F)c(F)c([C@@H]3CS(=O)(=O)C(C)(C)C(N)=N3)c2)nc1
InChIInChI=1S/C19H20F2N4O4S/c1-19(2)18(22)25-15(9-30(19,27)28)12-6-10(7-13(20)16(12)21)24-17(26)14-5-4-11(29-3)8-23-14/h4-8,15H,9H2,1-3H3,(H2,22,25)(H,24,26)/t15-/m0/s1
InChIKeyHNCJAQVJGMVECC-HNNXBMFYSA-N
XLogP2.23
TPSA123.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[(3R)-5-amino-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-3-yl]-4,5-difluorophenyl]-5-methoxypyridine-2-carboxamide with MolForge

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Related Compounds

N-[3-(5-amino-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-3-yl)-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 126634016
N-[3-[(5R)-3-amino-5-methyl-1,1-dioxo-2-(trihydroxymethyl)-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-methoxypyridine-2-carboxamide
CID 90295015
N-[3-(5-amino-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-3-yl)-4-fluorophenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 138495197
N-[3-(5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl)-4,5-difluorophenyl]-3-fluoro-5-methoxypyridine-2-carboxamide
CID 123325978
N-[3-(5-amino-3,6-dimethyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-yl)-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 123782506
3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]-3-pyridinyl]-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-5-amine
CID 144972609
N-[3-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 77411750
N-[3-[(2S,5S)-6-amino-2,5-dimethyl-4,5-dihydro-3H-pyridin-2-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 137397316
N-[3-[(3R,6R)-5-amino-3,6-dimethyl-1,1-dioxo-6-(2,2,2-trifluoroethyl)-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 89095045
N-[3-[2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4,5-difluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide
CID 153432494
N-[3-(3,5-diamino-1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undec-4-en-3-yl)-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 123358742
N-[3-[(2R,5S)-6-amino-3,5-difluoro-2,5-dimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 118326732

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R)-5-amino-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-3-yl]-4,5-difluorophenyl]-5-methoxypyridine-2-carboxamide?
The IUPAC name of N-[3-[(3R)-5-amino-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-3-yl]-4,5-difluorophenyl]-5-methoxypyridine-2-carboxamide (CID 126634332) is N-[3-[(3R)-5-amino-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-3-yl]-4,5-difluorophenyl]-5-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(3R)-5-amino-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-3-yl]-4,5-difluorophenyl]-5-methoxypyridine-2-carboxamide?
The canonical SMILES for N-[3-[(3R)-5-amino-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-3-yl]-4,5-difluorophenyl]-5-methoxypyridine-2-carboxamide is COc1ccc(C(=O)Nc2cc(F)c(F)c([C@@H]3CS(=O)(=O)C(C)(C)C(N)=N3)c2)nc1.
What is the InChIKey of N-[3-[(3R)-5-amino-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-3-yl]-4,5-difluorophenyl]-5-methoxypyridine-2-carboxamide?
The InChIKey is HNCJAQVJGMVECC-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20F2N4O4S/c1-19(2)18(22)25-15(9-30(19,27)28)12-6-10(7-13(20)16(12)21)24-17(26)14-5-4-11(29-3)8-23-14/h4-8,15H,9H2,1-3H3,(H2,22,25)(H,24,26)/t15-/m0/s1.
What are the key properties of N-[3-[(3R)-5-amino-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-3-yl]-4,5-difluorophenyl]-5-methoxypyridine-2-carboxamide?
N-[3-[(3R)-5-amino-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-3-yl]-4,5-difluorophenyl]-5-methoxypyridine-2-carboxamide has a molecular weight of 438.46 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R)-5-amino-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-3-yl]-4,5-difluorophenyl]-5-methoxypyridine-2-carboxamide is sourced from PubChem (CID 126634332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).