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

C25H24F3N5O3 — CID 53233228

IUPACN-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESO=C(Nc1cccc(CN2CCOCC2)n1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C25H24F3N5O3/c26-25(27,28)18-4-1-3-17(15-18)20-7-8-21-23(30-20)33(11-14-36-21)24(34)31-22-6-2-5-19(29-22)16-32-9-12-35-13-10-32/h1-8,15H,9-14,16H2,(H,29,31,34)
InChIKeyOXZHTQBLKWYCJK-UHFFFAOYSA-N
MW499.49 g/mol
LogP4.43
Rot. Bonds4

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

N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (PubChem CID 53233228) has the molecular formula C25H24F3N5O3 and a molecular weight of 499.49 g/mol. Its IUPAC name is N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
PubChem CID53233228
Molecular FormulaC25H24F3N5O3
Molecular Weight499.49 g/mol
Exact Mass499.18
IUPAC NameN-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESO=C(Nc1cccc(CN2CCOCC2)n1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C25H24F3N5O3/c26-25(27,28)18-4-1-3-17(15-18)20-7-8-21-23(30-20)33(11-14-36-21)24(34)31-22-6-2-5-19(29-22)16-32-9-12-35-13-10-32/h1-8,15H,9-14,16H2,(H,29,31,34)
InChIKeyOXZHTQBLKWYCJK-UHFFFAOYSA-N
XLogP4.43
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The IUPAC name of N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (CID 53233228) is N-[6-(morpholin-4-ylmethyl)-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-(morpholin-4-ylmethyl)-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The canonical SMILES for N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is O=C(Nc1cccc(CN2CCOCC2)n1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21.
What is the InChIKey of N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The InChIKey is OXZHTQBLKWYCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O3/c26-25(27,28)18-4-1-3-17(15-18)20-7-8-21-23(30-20)33(11-14-36-21)24(34)31-22-6-2-5-19(29-22)16-32-9-12-35-13-10-32/h1-8,15H,9-14,16H2,(H,29,31,34).
What are the key properties of N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide has a molecular weight of 499.49 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is sourced from PubChem (CID 53233228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).