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

C23H20F3N5O2 — CID 53233232

IUPACN-[2-(azetidin-1-yl)-4-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESO=C(Nc1ccnc(N2CCC2)c1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C23H20F3N5O2/c24-23(25,26)16-4-1-3-15(13-16)18-5-6-19-21(29-18)31(11-12-33-19)22(32)28-17-7-8-27-20(14-17)30-9-2-10-30/h1,3-8,13-14H,2,9-12H2,(H,27,28,32)
InChIKeySIXDBUPFVTWIFQ-UHFFFAOYSA-N
MW455.44 g/mol
LogP4.80
Rot. Bonds3

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

N-[2-(azetidin-1-yl)-4-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (PubChem CID 53233232) has the molecular formula C23H20F3N5O2 and a molecular weight of 455.44 g/mol. Its IUPAC name is N-[2-(azetidin-1-yl)-4-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(azetidin-1-yl)-4-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
PubChem CID53233232
Molecular FormulaC23H20F3N5O2
Molecular Weight455.44 g/mol
Exact Mass455.16
IUPAC NameN-[2-(azetidin-1-yl)-4-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESO=C(Nc1ccnc(N2CCC2)c1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C23H20F3N5O2/c24-23(25,26)16-4-1-3-15(13-16)18-5-6-19-21(29-18)31(11-12-33-19)22(32)28-17-7-8-27-20(14-17)30-9-2-10-30/h1,3-8,13-14H,2,9-12H2,(H,27,28,32)
InChIKeySIXDBUPFVTWIFQ-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-[2-(azetidin-1-yl)-4-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The IUPAC name of N-[2-(azetidin-1-yl)-4-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (CID 53233232) is N-[2-(azetidin-1-yl)-4-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.
What is the SMILES notation for N-[2-(azetidin-1-yl)-4-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The canonical SMILES for N-[2-(azetidin-1-yl)-4-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is O=C(Nc1ccnc(N2CCC2)c1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21.
What is the InChIKey of N-[2-(azetidin-1-yl)-4-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The InChIKey is SIXDBUPFVTWIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O2/c24-23(25,26)16-4-1-3-15(13-16)18-5-6-19-21(29-18)31(11-12-33-19)22(32)28-17-7-8-27-20(14-17)30-9-2-10-30/h1,3-8,13-14H,2,9-12H2,(H,27,28,32).
What are the key properties of N-[2-(azetidin-1-yl)-4-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
N-[2-(azetidin-1-yl)-4-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-[2-(azetidin-1-yl)-4-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is sourced from PubChem (CID 53233232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).