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

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

N-[5-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-6-fluoro-3-pyridinyl]-5-bromopyridine-2-carboxamide (PubChem CID 90372879) has the molecular formula C17H14BrF4N5O2 and a molecular weight of 476.23 g/mol. Its IUPAC name is N-[5-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-6-fluoro-3-pyridinyl]-5-bromopyridine-2-carboxamide.

Molecular Properties

Compound Name	N-[5-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-6-fluoro-3-pyridinyl]-5-bromopyridine-2-carboxamide
PubChem CID	90372879
Molecular Formula	C17H14BrF4N5O2
Molecular Weight	476.23 g/mol
Exact Mass	475.03
IUPAC Name	N-[5-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-6-fluoro-3-pyridinyl]-5-bromopyridine-2-carboxamide
SMILES	C[C@]1(c2cc(NC(=O)c3ccc(Br)cn3)cnc2F)C[C@@H](C(F)(F)F)OC(N)=N1
InChI	InChI=1S/C17H14BrF4N5O2/c1-16(5-12(17(20,21)22)29-15(23)27-16)10-4-9(7-25-13(10)19)26-14(28)11-3-2-8(18)6-24-11/h2-4,6-7,12H,5H2,1H3,(H2,23,27)(H,26,28)/t12-,16+/m0/s1
InChIKey	WJYRCNMJFLFCOT-BLLLJJGKSA-N
XLogP	3.51
TPSA	102.49 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	3
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.23
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-6-fluoro-3-pyridinyl]-5-bromopyridine-2-carboxamide?

The IUPAC name of N-[5-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-6-fluoro-3-pyridinyl]-5-bromopyridine-2-carboxamide (CID 90372879) is N-[5-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-6-fluoro-3-pyridinyl]-5-bromopyridine-2-carboxamide.

What is the SMILES notation for N-[5-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-6-fluoro-3-pyridinyl]-5-bromopyridine-2-carboxamide?

The canonical SMILES for N-[5-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-6-fluoro-3-pyridinyl]-5-bromopyridine-2-carboxamide is C[C@]1(c2cc(NC(=O)c3ccc(Br)cn3)cnc2F)C[C@@H](C(F)(F)F)OC(N)=N1.

What is the InChIKey of N-[5-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-6-fluoro-3-pyridinyl]-5-bromopyridine-2-carboxamide?

The InChIKey is WJYRCNMJFLFCOT-BLLLJJGKSA-N. The full InChI is InChI=1S/C17H14BrF4N5O2/c1-16(5-12(17(20,21)22)29-15(23)27-16)10-4-9(7-25-13(10)19)26-14(28)11-3-2-8(18)6-24-11/h2-4,6-7,12H,5H2,1H3,(H2,23,27)(H,26,28)/t12-,16+/m0/s1.

What are the key properties of N-[5-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-6-fluoro-3-pyridinyl]-5-bromopyridine-2-carboxamide?

N-[5-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-6-fluoro-3-pyridinyl]-5-bromopyridine-2-carboxamide has a molecular weight of 476.23 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-6-fluoro-3-pyridinyl]-5-bromopyridine-2-carboxamide is sourced from PubChem (CID 90372879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).