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

C19H14F3N5O2 — CID 53233108

IUPACN-pyrimidin-4-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESO=C(Nc1ccncn1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C19H14F3N5O2/c20-19(21,22)13-3-1-2-12(10-13)14-4-5-15-17(25-14)27(8-9-29-15)18(28)26-16-6-7-23-11-24-16/h1-7,10-11H,8-9H2,(H,23,24,26,28)
InChIKeyJAPZZKPHFLYLMM-UHFFFAOYSA-N
MW401.35 g/mol
LogP3.99
Rot. Bonds2

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

N-pyrimidin-4-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (PubChem CID 53233108) has the molecular formula C19H14F3N5O2 and a molecular weight of 401.35 g/mol. Its IUPAC name is N-pyrimidin-4-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.

Molecular Properties

Compound NameN-pyrimidin-4-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
PubChem CID53233108
Molecular FormulaC19H14F3N5O2
Molecular Weight401.35 g/mol
Exact Mass401.11
IUPAC NameN-pyrimidin-4-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESO=C(Nc1ccncn1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C19H14F3N5O2/c20-19(21,22)13-3-1-2-12(10-13)14-4-5-15-17(25-14)27(8-9-29-15)18(28)26-16-6-7-23-11-24-16/h1-7,10-11H,8-9H2,(H,23,24,26,28)
InChIKeyJAPZZKPHFLYLMM-UHFFFAOYSA-N
XLogP3.99
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.35
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-4-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The IUPAC name of N-pyrimidin-4-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (CID 53233108) is N-pyrimidin-4-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.
What is the SMILES notation for N-pyrimidin-4-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The canonical SMILES for N-pyrimidin-4-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is O=C(Nc1ccncn1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21.
What is the InChIKey of N-pyrimidin-4-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The InChIKey is JAPZZKPHFLYLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O2/c20-19(21,22)13-3-1-2-12(10-13)14-4-5-15-17(25-14)27(8-9-29-15)18(28)26-16-6-7-23-11-24-16/h1-7,10-11H,8-9H2,(H,23,24,26,28).
What are the key properties of N-pyrimidin-4-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
N-pyrimidin-4-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide has a molecular weight of 401.35 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-4-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is sourced from PubChem (CID 53233108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).