N-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-6-oxo-3H-pyridine-3-carboxamide

C17H15F3N4O3 — CID 91668579

IUPACN-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-6-oxo-3H-pyridine-3-carboxamide
SMILESNC1=N[C@@](c2cc(NC(=O)C3C=CC(=O)N=C3)ccc2F)(C(F)F)COC1
InChIInChI=1S/C17H15F3N4O3/c18-12-3-2-10(23-15(26)9-1-4-14(25)22-6-9)5-11(12)17(16(19)20)8-27-7-13(21)24-17/h1-6,9,16H,7-8H2,(H2,21,24)(H,23,26)/t9?,17-/m0/s1
InChIKeyOZUCDVPCGFCTEV-XBPAEFMFSA-N
MW380.33 g/mol
LogP1.40
Rot. Bonds4

About N-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-6-oxo-3H-pyridine-3-carboxamide

N-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-6-oxo-3H-pyridine-3-carboxamide (PubChem CID 91668579) has the molecular formula C17H15F3N4O3 and a molecular weight of 380.33 g/mol. Its IUPAC name is N-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-6-oxo-3H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-6-oxo-3H-pyridine-3-carboxamide
PubChem CID91668579
Molecular FormulaC17H15F3N4O3
Molecular Weight380.33 g/mol
Exact Mass380.11
IUPAC NameN-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-6-oxo-3H-pyridine-3-carboxamide
SMILESNC1=N[C@@](c2cc(NC(=O)C3C=CC(=O)N=C3)ccc2F)(C(F)F)COC1
InChIInChI=1S/C17H15F3N4O3/c18-12-3-2-10(23-15(26)9-1-4-14(25)22-6-9)5-11(12)17(16(19)20)8-27-7-13(21)24-17/h1-6,9,16H,7-8H2,(H2,21,24)(H,23,26)/t9?,17-/m0/s1
InChIKeyOZUCDVPCGFCTEV-XBPAEFMFSA-N
XLogP1.40
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-6-oxo-3H-pyridine-3-carboxamide?
The IUPAC name of N-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-6-oxo-3H-pyridine-3-carboxamide (CID 91668579) is N-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-6-oxo-3H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-6-oxo-3H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-6-oxo-3H-pyridine-3-carboxamide is NC1=N[C@@](c2cc(NC(=O)C3C=CC(=O)N=C3)ccc2F)(C(F)F)COC1.
What is the InChIKey of N-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-6-oxo-3H-pyridine-3-carboxamide?
The InChIKey is OZUCDVPCGFCTEV-XBPAEFMFSA-N. The full InChI is InChI=1S/C17H15F3N4O3/c18-12-3-2-10(23-15(26)9-1-4-14(25)22-6-9)5-11(12)17(16(19)20)8-27-7-13(21)24-17/h1-6,9,16H,7-8H2,(H2,21,24)(H,23,26)/t9?,17-/m0/s1.
What are the key properties of N-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-6-oxo-3H-pyridine-3-carboxamide?
N-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-6-oxo-3H-pyridine-3-carboxamide has a molecular weight of 380.33 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-6-oxo-3H-pyridine-3-carboxamide is sourced from PubChem (CID 91668579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).