N-[3-[(2R,3R)-5-amino-3-methyl-2-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide

C18H15ClF4N4O2 — CID 90656194

IUPACN-[3-[(2R,3R)-5-amino-3-methyl-2-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
SMILESC[C@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)CO[C@H]1C(F)(F)F
InChIInChI=1S/C18H15ClF4N4O2/c1-17(16(18(21,22)23)29-8-14(24)27-17)11-6-10(3-4-12(11)20)26-15(28)13-5-2-9(19)7-25-13/h2-7,16H,8H2,1H3,(H2,24,27)(H,26,28)/t16-,17-/m1/s1
InChIKeyKUEUDMYMTXDGEE-IAGOWNOFSA-N
MW430.79 g/mol
LogP3.66
Rot. Bonds3

About N-[3-[(2R,3R)-5-amino-3-methyl-2-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide

N-[3-[(2R,3R)-5-amino-3-methyl-2-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide (PubChem CID 90656194) has the molecular formula C18H15ClF4N4O2 and a molecular weight of 430.79 g/mol. Its IUPAC name is N-[3-[(2R,3R)-5-amino-3-methyl-2-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2R,3R)-5-amino-3-methyl-2-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
PubChem CID90656194
Molecular FormulaC18H15ClF4N4O2
Molecular Weight430.79 g/mol
Exact Mass430.08
IUPAC NameN-[3-[(2R,3R)-5-amino-3-methyl-2-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
SMILESC[C@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)CO[C@H]1C(F)(F)F
InChIInChI=1S/C18H15ClF4N4O2/c1-17(16(18(21,22)23)29-8-14(24)27-17)11-6-10(3-4-12(11)20)26-15(28)13-5-2-9(19)7-25-13/h2-7,16H,8H2,1H3,(H2,24,27)(H,26,28)/t16-,17-/m1/s1
InChIKeyKUEUDMYMTXDGEE-IAGOWNOFSA-N
XLogP3.66
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.79
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[(2R,3R)-5-amino-3-methyl-2-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R,3R)-5-amino-3-methyl-2-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide?
The IUPAC name of N-[3-[(2R,3R)-5-amino-3-methyl-2-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide (CID 90656194) is N-[3-[(2R,3R)-5-amino-3-methyl-2-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(2R,3R)-5-amino-3-methyl-2-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide?
The canonical SMILES for N-[3-[(2R,3R)-5-amino-3-methyl-2-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide is C[C@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)CO[C@H]1C(F)(F)F.
What is the InChIKey of N-[3-[(2R,3R)-5-amino-3-methyl-2-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide?
The InChIKey is KUEUDMYMTXDGEE-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H15ClF4N4O2/c1-17(16(18(21,22)23)29-8-14(24)27-17)11-6-10(3-4-12(11)20)26-15(28)13-5-2-9(19)7-25-13/h2-7,16H,8H2,1H3,(H2,24,27)(H,26,28)/t16-,17-/m1/s1.
What are the key properties of N-[3-[(2R,3R)-5-amino-3-methyl-2-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide?
N-[3-[(2R,3R)-5-amino-3-methyl-2-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide has a molecular weight of 430.79 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R,3R)-5-amino-3-methyl-2-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide is sourced from PubChem (CID 90656194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).