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

C26H25F3N4O5 — CID 67172836

IUPACN-[6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESCC1(C)OC[C@H](COc2cccc(NC(=O)N3CCOc4ccc(-c5cccc(C(F)(F)F)c5)nc43)n2)O1
InChIInChI=1S/C26H25F3N4O5/c1-25(2)37-15-18(38-25)14-36-22-8-4-7-21(31-22)32-24(34)33-11-12-35-20-10-9-19(30-23(20)33)16-5-3-6-17(13-16)26(27,28)29/h3-10,13,18H,11-12,14-15H2,1-2H3,(H,31,32,34)/t18-/m0/s1
InChIKeyXRGZJNKXPAKBEH-SFHVURJKSA-N
MW530.50 g/mol
LogP5.12
Rot. Bonds5

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

N-[6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (PubChem CID 67172836) has the molecular formula C26H25F3N4O5 and a molecular weight of 530.50 g/mol. Its IUPAC name is N-[6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.

Molecular Properties

Compound NameN-[6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
PubChem CID67172836
Molecular FormulaC26H25F3N4O5
Molecular Weight530.50 g/mol
Exact Mass530.18
IUPAC NameN-[6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESCC1(C)OC[C@H](COc2cccc(NC(=O)N3CCOc4ccc(-c5cccc(C(F)(F)F)c5)nc43)n2)O1
InChIInChI=1S/C26H25F3N4O5/c1-25(2)37-15-18(38-25)14-36-22-8-4-7-21(31-22)32-24(34)33-11-12-35-20-10-9-19(30-23(20)33)16-5-3-6-17(13-16)26(27,28)29/h3-10,13,18H,11-12,14-15H2,1-2H3,(H,31,32,34)/t18-/m0/s1
InChIKeyXRGZJNKXPAKBEH-SFHVURJKSA-N
XLogP5.12
TPSA95.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.50
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide with MolForge

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Related Compounds

6-((2S,5R)-2-(methoxymethyl)-5-phenylmorpholino)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 66996137
6-[[[2-[(1S)-2-(7-fluoro-2-methoxyquinolin-8-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 164617751
US11141410, Example 92
CID 129248991
6-[(5R)-5-[2-[[3-[6-(1-methylazetidin-3-yl)oxy-2-pyridinyl]phenyl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 156015599
US20260028365, Example 820
CID 170731028
6-(3-fluorophenyl)-N-(5-fluoro-3-pyridinyl)-2,2-dimethyl-3H-pyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 53232553
N-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 53233106
N-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 53233107
N-pyrimidin-4-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 53233108
N-(6-morpholin-4-ylpyridin-2-yl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 53233227
N-[6-(morpholin-4-ylmethyl)pyridin-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 53233228
N-(2-pyrrolidin-1-ylpyridin-4-yl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 53233229

Frequently Asked Questions

What is the IUPAC name of N-[6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The IUPAC name of N-[6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (CID 67172836) is N-[6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-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-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The canonical SMILES for N-[6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is CC1(C)OC[C@H](COc2cccc(NC(=O)N3CCOc4ccc(-c5cccc(C(F)(F)F)c5)nc43)n2)O1.
What is the InChIKey of N-[6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The InChIKey is XRGZJNKXPAKBEH-SFHVURJKSA-N. The full InChI is InChI=1S/C26H25F3N4O5/c1-25(2)37-15-18(38-25)14-36-22-8-4-7-21(31-22)32-24(34)33-11-12-35-20-10-9-19(30-23(20)33)16-5-3-6-17(13-16)26(27,28)29/h3-10,13,18H,11-12,14-15H2,1-2H3,(H,31,32,34)/t18-/m0/s1.
What are the key properties of N-[6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
N-[6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide has a molecular weight of 530.50 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is sourced from PubChem (CID 67172836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).