N-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-fluorophenyl]-5-methylpyridine-2-carboxamide;methanamine

C20H26FN5O2S — CID 144715703

IUPACN-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-fluorophenyl]-5-methylpyridine-2-carboxamide;methanamine
SMILESCN.Cc1ccc(C(=O)Nc2ccc(F)c(C3CS(=O)C(C)(C)C(N)=N3)c2)nc1
InChIInChI=1S/C19H21FN4O2S.CH5N/c1-11-4-7-15(22-9-11)17(25)23-12-5-6-14(20)13(8-12)16-10-27(26)19(2,3)18(21)24-16;1-2/h4-9,16H,10H2,1-3H3,(H2,21,24)(H,23,25);2H2,1H3
InChIKeyAGVQDYBOSZILGX-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.30
Rot. Bonds3

About N-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-fluorophenyl]-5-methylpyridine-2-carboxamide;methanamine

N-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-fluorophenyl]-5-methylpyridine-2-carboxamide;methanamine (PubChem CID 144715703) has the molecular formula C20H26FN5O2S and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-fluorophenyl]-5-methylpyridine-2-carboxamide;methanamine.

Molecular Properties

Compound NameN-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-fluorophenyl]-5-methylpyridine-2-carboxamide;methanamine
PubChem CID144715703
Molecular FormulaC20H26FN5O2S
Molecular Weight419.53 g/mol
Exact Mass419.18
IUPAC NameN-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-fluorophenyl]-5-methylpyridine-2-carboxamide;methanamine
SMILESCN.Cc1ccc(C(=O)Nc2ccc(F)c(C3CS(=O)C(C)(C)C(N)=N3)c2)nc1
InChIInChI=1S/C19H21FN4O2S.CH5N/c1-11-4-7-15(22-9-11)17(25)23-12-5-6-14(20)13(8-12)16-10-27(26)19(2,3)18(21)24-16;1-2/h4-9,16H,10H2,1-3H3,(H2,21,24)(H,23,25);2H2,1H3
InChIKeyAGVQDYBOSZILGX-UHFFFAOYSA-N
XLogP2.30
TPSA123.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-fluorophenyl]-5-methylpyridine-2-carboxamide;methanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-(5-amino-1-oxo-9-oxa-1λ4-thia-4-azaspiro[5.5]undec-4-en-3-yl)-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 144538900
N-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4,5-difluorophenyl]-3,5-difluoropyridine-2-carboxamide
CID 126633940
3-(5-amino-2-fluorophenyl)-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine;ethane;methoxymethane
CID 144606503
N-(4-fluoro-3-methylphenyl)-5-methylpyridine-2-carboxamide
CID 90289728
N-[3-[(4R)-6-amino-2,7,7-trimethyl-1,1-dioxo-3,4-dihydro-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 155543145
N-[3-[(4R)-6-amino-2,7,7-trimethyl-3,4-dihydro-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide
CID 146531534
N-[3-(3-amino-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 130394739
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-[(5R)-3-amino-5-methyl-1,1-dioxo-2-(trideuteriomethyl)-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methylpyridine-2-carboxamide
CID 88594175
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-[(1S,2R,5R)-4-amino-5-(fluoromethyl)-6-formyl-2-methyl-8-oxo-8λ4-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 144786110
N-[3-[3-amino-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1,4-oxazepin-2-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 159711309

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-fluorophenyl]-5-methylpyridine-2-carboxamide;methanamine?
The IUPAC name of N-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-fluorophenyl]-5-methylpyridine-2-carboxamide;methanamine (CID 144715703) is N-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-fluorophenyl]-5-methylpyridine-2-carboxamide;methanamine.
What is the SMILES notation for N-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-fluorophenyl]-5-methylpyridine-2-carboxamide;methanamine?
The canonical SMILES for N-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-fluorophenyl]-5-methylpyridine-2-carboxamide;methanamine is CN.Cc1ccc(C(=O)Nc2ccc(F)c(C3CS(=O)C(C)(C)C(N)=N3)c2)nc1.
What is the InChIKey of N-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-fluorophenyl]-5-methylpyridine-2-carboxamide;methanamine?
The InChIKey is AGVQDYBOSZILGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2S.CH5N/c1-11-4-7-15(22-9-11)17(25)23-12-5-6-14(20)13(8-12)16-10-27(26)19(2,3)18(21)24-16;1-2/h4-9,16H,10H2,1-3H3,(H2,21,24)(H,23,25);2H2,1H3.
What are the key properties of N-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-fluorophenyl]-5-methylpyridine-2-carboxamide;methanamine?
N-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-fluorophenyl]-5-methylpyridine-2-carboxamide;methanamine has a molecular weight of 419.53 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-fluorophenyl]-5-methylpyridine-2-carboxamide;methanamine is sourced from PubChem (CID 144715703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).