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

C24H22F3N5O3 — CID 53233227

IUPACN-(6-morpholin-4-yl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESO=C(Nc1cccc(N2CCOCC2)n1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C24H22F3N5O3/c25-24(26,27)17-4-1-3-16(15-17)18-7-8-19-22(28-18)32(11-14-35-19)23(33)30-20-5-2-6-21(29-20)31-9-12-34-13-10-31/h1-8,15H,9-14H2,(H,29,30,33)
InChIKeyWUTZYGWJLTUTBX-UHFFFAOYSA-N
MW485.47 g/mol
LogP4.43
Rot. Bonds3

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

N-(6-morpholin-4-yl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (PubChem CID 53233227) has the molecular formula C24H22F3N5O3 and a molecular weight of 485.47 g/mol. Its IUPAC name is N-(6-morpholin-4-yl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.

Molecular Properties

Compound NameN-(6-morpholin-4-yl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
PubChem CID53233227
Molecular FormulaC24H22F3N5O3
Molecular Weight485.47 g/mol
Exact Mass485.17
IUPAC NameN-(6-morpholin-4-yl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESO=C(Nc1cccc(N2CCOCC2)n1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C24H22F3N5O3/c25-24(26,27)17-4-1-3-16(15-17)18-7-8-19-22(28-18)32(11-14-35-19)23(33)30-20-5-2-6-21(29-20)31-9-12-34-13-10-31/h1-8,15H,9-14H2,(H,29,30,33)
InChIKeyWUTZYGWJLTUTBX-UHFFFAOYSA-N
XLogP4.43
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.47
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-yl-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-yl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (CID 53233227) is N-(6-morpholin-4-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-morpholin-4-yl-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-yl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is O=C(Nc1cccc(N2CCOCC2)n1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21.
What is the InChIKey of N-(6-morpholin-4-yl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The InChIKey is WUTZYGWJLTUTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O3/c25-24(26,27)17-4-1-3-16(15-17)18-7-8-19-22(28-18)32(11-14-35-19)23(33)30-20-5-2-6-21(29-20)31-9-12-34-13-10-31/h1-8,15H,9-14H2,(H,29,30,33).
What are the key properties of N-(6-morpholin-4-yl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
N-(6-morpholin-4-yl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide has a molecular weight of 485.47 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-morpholin-4-yl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is sourced from PubChem (CID 53233227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).