N-[3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide

C21H22F2N4O2S — CID 166629235

IUPACN-[3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide
SMILESC[C@H]1SC(N)=N[C@](C)(c2cc(NC(=O)c3cc4c(cn3)CCCO4)ccc2F)[C@H]1F
InChIInChI=1S/C21H22F2N4O2S/c1-11-18(23)21(2,27-20(24)30-11)14-8-13(5-6-15(14)22)26-19(28)16-9-17-12(10-25-16)4-3-7-29-17/h5-6,8-11,18H,3-4,7H2,1-2H3,(H2,24,27)(H,26,28)/t11-,18+,21-/m1/s1
InChIKeyNQNYJWRRSKILGT-NHTJXEOOSA-N
MW432.50 g/mol
LogP3.80
Rot. Bonds3

About N-[3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide

N-[3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide (PubChem CID 166629235) has the molecular formula C21H22F2N4O2S and a molecular weight of 432.50 g/mol. Its IUPAC name is N-[3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide
PubChem CID166629235
Molecular FormulaC21H22F2N4O2S
Molecular Weight432.50 g/mol
Exact Mass432.14
IUPAC NameN-[3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide
SMILESC[C@H]1SC(N)=N[C@](C)(c2cc(NC(=O)c3cc4c(cn3)CCCO4)ccc2F)[C@H]1F
InChIInChI=1S/C21H22F2N4O2S/c1-11-18(23)21(2,27-20(24)30-11)14-8-13(5-6-15(14)22)26-19(28)16-9-17-12(10-25-16)4-3-7-29-17/h5-6,8-11,18H,3-4,7H2,1-2H3,(H2,24,27)(H,26,28)/t11-,18+,21-/m1/s1
InChIKeyNQNYJWRRSKILGT-NHTJXEOOSA-N
XLogP3.80
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide with MolForge

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Related Compounds

N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide
CID 162366968
US9605007, Comparator 3
CID 118441559
N-[3-[(1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-5-prop-2-ynoxypyridine-2-carboxamide
CID 118885049
5-Ethoxy-Pyridine-2-Carboxylic Acid [3-((R)-2-Amino-5,5-Difluoro-4-Methyl-5,6-Dihydro-4h-[1,3]oxazin-4-Yl)-4-Fluoro-Phenyl]-Amide
CID 71305034
N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyridine-2-carboxamide
CID 155517833
N-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyridine-2-carboxamide
CID 155537873
CID 53240812
CID 53240812
CID 53241933
CID 53241933
N-(3-((4aR,7aR)-2-amino-4a,5,6,7a-tetrahydro-4H-furo[2,3-d][1,3]thiazin-7a-yl)-4-fluorophenyl)-5-(difluoromethoxy)picolinamide
CID 86762164
N-[(4R)-5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl]-5-cyanopyridine-2-carboxamide
CID 117960375
N-[3-[(1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-3-methyl-5-prop-2-ynoxypyridine-2-carboxamide
CID 118866133
CID 118866737
CID 118866737

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide?
The IUPAC name of N-[3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide (CID 166629235) is N-[3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for N-[3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for N-[3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide is C[C@H]1SC(N)=N[C@](C)(c2cc(NC(=O)c3cc4c(cn3)CCCO4)ccc2F)[C@H]1F.
What is the InChIKey of N-[3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide?
The InChIKey is NQNYJWRRSKILGT-NHTJXEOOSA-N. The full InChI is InChI=1S/C21H22F2N4O2S/c1-11-18(23)21(2,27-20(24)30-11)14-8-13(5-6-15(14)22)26-19(28)16-9-17-12(10-25-16)4-3-7-29-17/h5-6,8-11,18H,3-4,7H2,1-2H3,(H2,24,27)(H,26,28)/t11-,18+,21-/m1/s1.
What are the key properties of N-[3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide?
N-[3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide has a molecular weight of 432.50 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 166629235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).