N-[3-[(3R,6S)-5-amino-6-(1,2-dihydropyridin-6-yl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide

C24H23F4N5O3S — CID 89094920

IUPACN-[3-[(3R,6S)-5-amino-6-(1,2-dihydropyridin-6-yl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESC[C@]1(C2=CC=CCN2)C(N)=N[C@](C)(c2cc(NC(=O)c3ccc(C(F)(F)F)cn3)ccc2F)CS1(=O)=O
InChIInChI=1S/C24H23F4N5O3S/c1-22(13-37(35,36)23(2,21(29)33-22)19-5-3-4-10-30-19)16-11-15(7-8-17(16)25)32-20(34)18-9-6-14(12-31-18)24(26,27)28/h3-9,11-12,30H,10,13H2,1-2H3,(H2,29,33)(H,32,34)/t22-,23-/m0/s1
InChIKeyPQMHBCLFLSOQKM-GOTSBHOMSA-N
MW537.54 g/mol
LogP3.29
Rot. Bonds4

About N-[3-[(3R,6S)-5-amino-6-(1,2-dihydropyridin-6-yl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide

N-[3-[(3R,6S)-5-amino-6-(1,2-dihydropyridin-6-yl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 89094920) has the molecular formula C24H23F4N5O3S and a molecular weight of 537.54 g/mol. Its IUPAC name is N-[3-[(3R,6S)-5-amino-6-(1,2-dihydropyridin-6-yl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3R,6S)-5-amino-6-(1,2-dihydropyridin-6-yl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID89094920
Molecular FormulaC24H23F4N5O3S
Molecular Weight537.54 g/mol
Exact Mass537.15
IUPAC NameN-[3-[(3R,6S)-5-amino-6-(1,2-dihydropyridin-6-yl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESC[C@]1(C2=CC=CCN2)C(N)=N[C@](C)(c2cc(NC(=O)c3ccc(C(F)(F)F)cn3)ccc2F)CS1(=O)=O
InChIInChI=1S/C24H23F4N5O3S/c1-22(13-37(35,36)23(2,21(29)33-22)19-5-3-4-10-30-19)16-11-15(7-8-17(16)25)32-20(34)18-9-6-14(12-31-18)24(26,27)28/h3-9,11-12,30H,10,13H2,1-2H3,(H2,29,33)(H,32,34)/t22-,23-/m0/s1
InChIKeyPQMHBCLFLSOQKM-GOTSBHOMSA-N
XLogP3.29
TPSA126.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.54
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[3-[(3R,6S)-5-amino-6-(1,2-dihydropyridin-6-yl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide with MolForge

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Related Compounds

N-[3-[(8R)-10-amino-8-methyl-6,6-dioxo-6λ6-thia-9-azaspiro[4.5]dec-9-en-8-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 89419853
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 59374722
N-[3-(5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 77143112
N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-chloro-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 89095031
N-[3-[(3R,6R)-5-amino-3,6-dimethyl-1,1-dioxo-6-pyridin-2-yl-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 89094924
N-[3-[(3R,6S)-5-amino-6-(4-fluorophenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 66562467
N-[3-[(3R,6R)-5-amino-3,6-dimethyl-1-oxo-6-pyridin-2-yl-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 126634304
N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-1,3-oxazole-4-carboxamide
CID 89094950
N-[3-[(3R)-5-amino-3,6-dimethyl-1,1-dioxo-6-pyridin-2-yl-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 66563272
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-(5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl)-4-fluorophenyl]-4-chlorobenzamide
CID 77143136
N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 59570580

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R,6S)-5-amino-6-(1,2-dihydropyridin-6-yl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[3-[(3R,6S)-5-amino-6-(1,2-dihydropyridin-6-yl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 89094920) is N-[3-[(3R,6S)-5-amino-6-(1,2-dihydropyridin-6-yl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(3R,6S)-5-amino-6-(1,2-dihydropyridin-6-yl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-[(3R,6S)-5-amino-6-(1,2-dihydropyridin-6-yl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide is C[C@]1(C2=CC=CCN2)C(N)=N[C@](C)(c2cc(NC(=O)c3ccc(C(F)(F)F)cn3)ccc2F)CS1(=O)=O.
What is the InChIKey of N-[3-[(3R,6S)-5-amino-6-(1,2-dihydropyridin-6-yl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is PQMHBCLFLSOQKM-GOTSBHOMSA-N. The full InChI is InChI=1S/C24H23F4N5O3S/c1-22(13-37(35,36)23(2,21(29)33-22)19-5-3-4-10-30-19)16-11-15(7-8-17(16)25)32-20(34)18-9-6-14(12-31-18)24(26,27)28/h3-9,11-12,30H,10,13H2,1-2H3,(H2,29,33)(H,32,34)/t22-,23-/m0/s1.
What are the key properties of N-[3-[(3R,6S)-5-amino-6-(1,2-dihydropyridin-6-yl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
N-[3-[(3R,6S)-5-amino-6-(1,2-dihydropyridin-6-yl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 537.54 g/mol, XLogP of 3.29, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R,6S)-5-amino-6-(1,2-dihydropyridin-6-yl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 89094920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).