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

C22H19F3N4O2 — CID 53233231

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

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

N-(4,6-dimethyl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (PubChem CID 53233231) has the molecular formula C22H19F3N4O2 and a molecular weight of 428.41 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
PubChem CID53233231
Molecular FormulaC22H19F3N4O2
Molecular Weight428.41 g/mol
Exact Mass428.15
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESCc1cc(C)nc(NC(=O)N2CCOc3ccc(-c4cccc(C(F)(F)F)c4)nc32)c1
InChIInChI=1S/C22H19F3N4O2/c1-13-10-14(2)26-19(11-13)28-21(30)29-8-9-31-18-7-6-17(27-20(18)29)15-4-3-5-16(12-15)22(23,24)25/h3-7,10-12H,8-9H2,1-2H3,(H,26,28,30)
InChIKeyNBNXFHHFHAUBMD-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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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (CID 53233231) is N-(4,6-dimethyl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is Cc1cc(C)nc(NC(=O)N2CCOc3ccc(-c4cccc(C(F)(F)F)c4)nc32)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The InChIKey is NBNXFHHFHAUBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O2/c1-13-10-14(2)26-19(11-13)28-21(30)29-8-9-31-18-7-6-17(27-20(18)29)15-4-3-5-16(12-15)22(23,24)25/h3-7,10-12H,8-9H2,1-2H3,(H,26,28,30).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
N-(4,6-dimethyl-2-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-(4,6-dimethyl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is sourced from PubChem (CID 53233231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).