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

C22H19F3N4O2 — CID 53233559

IUPACN-(2,6-dimethyl-4-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESCc1cc(NC(=O)N2CCOc3ccc(-c4cccc(C(F)(F)F)c4)nc32)cc(C)n1
InChIInChI=1S/C22H19F3N4O2/c1-13-10-17(11-14(2)26-13)27-21(30)29-8-9-31-19-7-6-18(28-20(19)29)15-4-3-5-16(12-15)22(23,24)25/h3-7,10-12H,8-9H2,1-2H3,(H,26,27,30)
InChIKeyPAHFMLWVMSVDFB-UHFFFAOYSA-N
MW428.41 g/mol
LogP5.21
Rot. Bonds2

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

N-(2,6-dimethyl-4-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (PubChem CID 53233559) has the molecular formula C22H19F3N4O2 and a molecular weight of 428.41 g/mol. Its IUPAC name is N-(2,6-dimethyl-4-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethyl-4-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
PubChem CID53233559
Molecular FormulaC22H19F3N4O2
Molecular Weight428.41 g/mol
Exact Mass428.15
IUPAC NameN-(2,6-dimethyl-4-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESCc1cc(NC(=O)N2CCOc3ccc(-c4cccc(C(F)(F)F)c4)nc32)cc(C)n1
InChIInChI=1S/C22H19F3N4O2/c1-13-10-17(11-14(2)26-13)27-21(30)29-8-9-31-19-7-6-18(28-20(19)29)15-4-3-5-16(12-15)22(23,24)25/h3-7,10-12H,8-9H2,1-2H3,(H,26,27,30)
InChIKeyPAHFMLWVMSVDFB-UHFFFAOYSA-N
XLogP5.21
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.41
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US10155760, Example 117
CID 118429768
US10155760, Example 120
CID 118429774
US10155760, Example 146
CID 118429917
1-(3-oxo-4H-1,4-benzoxazin-8-yl)-3-[[6-(trifluoromethyl)-2-[4-tritio-4-(tritiomethyl)piperidin-1-yl]-3-pyridinyl]methyl]urea
CID 137648895
1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(3-oxo-4H-1,4-benzoxazin-8-yl)urea
CID 137654340
5'-ethoxy-N-(6-methylpyridin-2-yl)-2,3'-bipyridin-6'-amine
CID 11220495
6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25129956
7-[(2R,5R)-5-(2-fluorophenyl)-2-methylmorpholin-4-yl]-1H-pyrido[3,4-b][1,4]oxazin-2-one
CID 54590901
6-((2R,5R)-2-methyl-5-phenylmorpholino)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 54592009
6-[(2R,5R)-5-(4-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 54592010
(R)-6-(2,2-dimethyl-5-phenylmorpholino)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 54592011
7-((2R,5R)-2-methyl-5-phenylmorpholino)-1H-pyrido[3,4-b][1,4]oxazin-2(3H)-one
CID 54592088

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-4-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The IUPAC name of N-(2,6-dimethyl-4-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (CID 53233559) is N-(2,6-dimethyl-4-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.
What is the SMILES notation for N-(2,6-dimethyl-4-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The canonical SMILES for N-(2,6-dimethyl-4-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is Cc1cc(NC(=O)N2CCOc3ccc(-c4cccc(C(F)(F)F)c4)nc32)cc(C)n1.
What is the InChIKey of N-(2,6-dimethyl-4-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The InChIKey is PAHFMLWVMSVDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O2/c1-13-10-17(11-14(2)26-13)27-21(30)29-8-9-31-19-7-6-18(28-20(19)29)15-4-3-5-16(12-15)22(23,24)25/h3-7,10-12H,8-9H2,1-2H3,(H,26,27,30).
What are the key properties of N-(2,6-dimethyl-4-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
N-(2,6-dimethyl-4-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide has a molecular weight of 428.41 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-4-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is sourced from PubChem (CID 53233559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).