N-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide

C19H17F6N5O3 — CID 90372943

IUPACN-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide
SMILESCc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c([C@]2(C)C[C@@H](C(F)(F)F)OC(N)=N2)n1
InChIInChI=1S/C19H17F6N5O3/c1-8-5-9(32-16(21)22)7-27-13(8)15(31)29-12-4-3-10(20)14(28-12)18(2)6-11(19(23,24)25)33-17(26)30-18/h3-5,7,11,16H,6H2,1-2H3,(H2,26,30)(H,28,29,31)/t11-,18-/m0/s1
InChIKeyBQDHJFDZJGFRGD-VOJFVSQTSA-N
MW477.37 g/mol
LogP3.66
Rot. Bonds5

About N-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide

N-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide (PubChem CID 90372943) has the molecular formula C19H17F6N5O3 and a molecular weight of 477.37 g/mol. Its IUPAC name is N-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide
PubChem CID90372943
Molecular FormulaC19H17F6N5O3
Molecular Weight477.37 g/mol
Exact Mass477.12
IUPAC NameN-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide
SMILESCc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c([C@]2(C)C[C@@H](C(F)(F)F)OC(N)=N2)n1
InChIInChI=1S/C19H17F6N5O3/c1-8-5-9(32-16(21)22)7-27-13(8)15(31)29-12-4-3-10(20)14(28-12)18(2)6-11(19(23,24)25)33-17(26)30-18/h3-5,7,11,16H,6H2,1-2H3,(H2,26,30)(H,28,29,31)/t11-,18-/m0/s1
InChIKeyBQDHJFDZJGFRGD-VOJFVSQTSA-N
XLogP3.66
TPSA111.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.37
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide (CID 90372943) is N-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide is Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c([C@]2(C)C[C@@H](C(F)(F)F)OC(N)=N2)n1.
What is the InChIKey of N-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide?
The InChIKey is BQDHJFDZJGFRGD-VOJFVSQTSA-N. The full InChI is InChI=1S/C19H17F6N5O3/c1-8-5-9(32-16(21)22)7-27-13(8)15(31)29-12-4-3-10(20)14(28-12)18(2)6-11(19(23,24)25)33-17(26)30-18/h3-5,7,11,16H,6H2,1-2H3,(H2,26,30)(H,28,29,31)/t11-,18-/m0/s1.
What are the key properties of N-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide?
N-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide has a molecular weight of 477.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 90372943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).