N-[3-[(4S,6S)-2-amino-4-(difluoromethyl)-6-(fluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide

C18H15F5N4O2 — CID 118399717

IUPACN-[3-[(4S,6S)-2-amino-4-(difluoromethyl)-6-(fluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
SMILESNC1=N[C@@](c2cc(NC(=O)c3ccc(F)cn3)ccc2F)(C(F)F)C[C@@H](CF)O1
InChIInChI=1S/C18H15F5N4O2/c19-7-11-6-18(16(22)23,27-17(24)29-11)12-5-10(2-3-13(12)21)26-15(28)14-4-1-9(20)8-25-14/h1-5,8,11,16H,6-7H2,(H2,24,27)(H,26,28)/t11-,18-/m0/s1
InChIKeyQFMNJVURJQTMST-VOJFVSQTSA-N
MW414.33 g/mol
LogP3.15
Rot. Bonds5

About N-[3-[(4S,6S)-2-amino-4-(difluoromethyl)-6-(fluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide

N-[3-[(4S,6S)-2-amino-4-(difluoromethyl)-6-(fluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide (PubChem CID 118399717) has the molecular formula C18H15F5N4O2 and a molecular weight of 414.33 g/mol. Its IUPAC name is N-[3-[(4S,6S)-2-amino-4-(difluoromethyl)-6-(fluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4S,6S)-2-amino-4-(difluoromethyl)-6-(fluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
PubChem CID118399717
Molecular FormulaC18H15F5N4O2
Molecular Weight414.33 g/mol
Exact Mass414.11
IUPAC NameN-[3-[(4S,6S)-2-amino-4-(difluoromethyl)-6-(fluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
SMILESNC1=N[C@@](c2cc(NC(=O)c3ccc(F)cn3)ccc2F)(C(F)F)C[C@@H](CF)O1
InChIInChI=1S/C18H15F5N4O2/c19-7-11-6-18(16(22)23,27-17(24)29-11)12-5-10(2-3-13(12)21)26-15(28)14-4-1-9(20)8-25-14/h1-5,8,11,16H,6-7H2,(H2,24,27)(H,26,28)/t11-,18-/m0/s1
InChIKeyQFMNJVURJQTMST-VOJFVSQTSA-N
XLogP3.15
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.33
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[(4S,6S)-2-amino-4-(difluoromethyl)-6-(fluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4S,6S)-2-amino-4-(difluoromethyl)-6-(fluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-[3-[(4S,6S)-2-amino-4-(difluoromethyl)-6-(fluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide (CID 118399717) is N-[3-[(4S,6S)-2-amino-4-(difluoromethyl)-6-(fluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(4S,6S)-2-amino-4-(difluoromethyl)-6-(fluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[3-[(4S,6S)-2-amino-4-(difluoromethyl)-6-(fluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide is NC1=N[C@@](c2cc(NC(=O)c3ccc(F)cn3)ccc2F)(C(F)F)C[C@@H](CF)O1.
What is the InChIKey of N-[3-[(4S,6S)-2-amino-4-(difluoromethyl)-6-(fluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide?
The InChIKey is QFMNJVURJQTMST-VOJFVSQTSA-N. The full InChI is InChI=1S/C18H15F5N4O2/c19-7-11-6-18(16(22)23,27-17(24)29-11)12-5-10(2-3-13(12)21)26-15(28)14-4-1-9(20)8-25-14/h1-5,8,11,16H,6-7H2,(H2,24,27)(H,26,28)/t11-,18-/m0/s1.
What are the key properties of N-[3-[(4S,6S)-2-amino-4-(difluoromethyl)-6-(fluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide?
N-[3-[(4S,6S)-2-amino-4-(difluoromethyl)-6-(fluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide has a molecular weight of 414.33 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4S,6S)-2-amino-4-(difluoromethyl)-6-(fluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 118399717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).