N-[6-(azetidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide

C23H20F3N5O2 — CID 67172959

IUPACN-[6-(azetidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESO=C(Nc1cccc(N2CCC2)n1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C23H20F3N5O2/c24-23(25,26)16-5-1-4-15(14-16)17-8-9-18-21(27-17)31(12-13-33-18)22(32)29-19-6-2-7-20(28-19)30-10-3-11-30/h1-2,4-9,14H,3,10-13H2,(H,28,29,32)
InChIKeyLXQYRCABSYLHRV-UHFFFAOYSA-N
MW455.44 g/mol
LogP4.80
Rot. Bonds3

About N-[6-(azetidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide

N-[6-(azetidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (PubChem CID 67172959) has the molecular formula C23H20F3N5O2 and a molecular weight of 455.44 g/mol. Its IUPAC name is N-[6-(azetidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(azetidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
PubChem CID67172959
Molecular FormulaC23H20F3N5O2
Molecular Weight455.44 g/mol
Exact Mass455.16
IUPAC NameN-[6-(azetidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESO=C(Nc1cccc(N2CCC2)n1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C23H20F3N5O2/c24-23(25,26)16-5-1-4-15(14-16)17-8-9-18-21(27-17)31(12-13-33-18)22(32)29-19-6-2-7-20(28-19)30-10-3-11-30/h1-2,4-9,14H,3,10-13H2,(H,28,29,32)
InChIKeyLXQYRCABSYLHRV-UHFFFAOYSA-N
XLogP4.80
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(azetidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The IUPAC name of N-[6-(azetidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (CID 67172959) is N-[6-(azetidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.
What is the SMILES notation for N-[6-(azetidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The canonical SMILES for N-[6-(azetidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is O=C(Nc1cccc(N2CCC2)n1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21.
What is the InChIKey of N-[6-(azetidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The InChIKey is LXQYRCABSYLHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O2/c24-23(25,26)16-5-1-4-15(14-16)17-8-9-18-21(27-17)31(12-13-33-18)22(32)29-19-6-2-7-20(28-19)30-10-3-11-30/h1-2,4-9,14H,3,10-13H2,(H,28,29,32).
What are the key properties of N-[6-(azetidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
N-[6-(azetidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide has a molecular weight of 455.44 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(azetidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is sourced from PubChem (CID 67172959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).