N-[3-(2-amino-4a-methyl-5,7-dihydro-4H-furo[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

C21H20F4N4O4 — CID 123737721

IUPACN-[3-(2-amino-4a-methyl-5,7-dihydro-4H-furo[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESCC12COCC1(c1cc(NC(=O)c3ccc(OCC(F)(F)F)cn3)ccc1F)N=C(N)OC2
InChIInChI=1S/C21H20F4N4O4/c1-19-8-31-10-20(19,29-18(26)33-9-19)14-6-12(2-4-15(14)22)28-17(30)16-5-3-13(7-27-16)32-11-21(23,24)25/h2-7H,8-11H2,1H3,(H2,26,29)(H,28,30)
InChIKeyBLONTSRZJTXJIH-UHFFFAOYSA-N
MW468.41 g/mol
LogP2.99
Rot. Bonds5

About N-[3-(2-amino-4a-methyl-5,7-dihydro-4H-furo[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

N-[3-(2-amino-4a-methyl-5,7-dihydro-4H-furo[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (PubChem CID 123737721) has the molecular formula C21H20F4N4O4 and a molecular weight of 468.41 g/mol. Its IUPAC name is N-[3-(2-amino-4a-methyl-5,7-dihydro-4H-furo[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-4a-methyl-5,7-dihydro-4H-furo[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
PubChem CID123737721
Molecular FormulaC21H20F4N4O4
Molecular Weight468.41 g/mol
Exact Mass468.14
IUPAC NameN-[3-(2-amino-4a-methyl-5,7-dihydro-4H-furo[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESCC12COCC1(c1cc(NC(=O)c3ccc(OCC(F)(F)F)cn3)ccc1F)N=C(N)OC2
InChIInChI=1S/C21H20F4N4O4/c1-19-8-31-10-20(19,29-18(26)33-9-19)14-6-12(2-4-15(14)22)28-17(30)16-5-3-13(7-27-16)32-11-21(23,24)25/h2-7H,8-11H2,1H3,(H2,26,29)(H,28,30)
InChIKeyBLONTSRZJTXJIH-UHFFFAOYSA-N
XLogP2.99
TPSA108.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-(2-amino-4a-methyl-5,7-dihydro-4H-furo[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide with MolForge

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Related Compounds

N-[3-(2-amino-4a-methyl-5,7-dihydro-4H-furo[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carboxamide
CID 123170904
N-[3-(2-amino-4a-methyl-5,7-dihydro-4H-furo[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-5-ethoxypyrazine-2-carboxamide
CID 123520039
N-[3-(2-amino-4a-methyl-5,7-dihydro-4H-furo[3,4-d][1,3]thiazin-7a-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
CID 123895658
N-[3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 50992404
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-ethoxypyridine-2-carboxamide
CID 71305034
N-[3-[(4S)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 147728536
N-[3-[(4S,6R)-2-amino-6-(methoxymethyl)-4,6-dimethyl-5H-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 126488561
N-[3-[2-amino-6,6-difluoro-4-(fluoromethyl)-4a,5,7,7a-tetrahydrocyclopenta[e][1,3]oxazin-4-yl]-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 78094673
N-[3-[(1S,5R,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 118866726
N-[3-(6-amino-2-cyclopropylmorpholin-2-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 66968744
CID 158327362
CID 158327362
N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 71667733

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-4a-methyl-5,7-dihydro-4H-furo[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The IUPAC name of N-[3-(2-amino-4a-methyl-5,7-dihydro-4H-furo[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (CID 123737721) is N-[3-(2-amino-4a-methyl-5,7-dihydro-4H-furo[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(2-amino-4a-methyl-5,7-dihydro-4H-furo[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-[3-(2-amino-4a-methyl-5,7-dihydro-4H-furo[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is CC12COCC1(c1cc(NC(=O)c3ccc(OCC(F)(F)F)cn3)ccc1F)N=C(N)OC2.
What is the InChIKey of N-[3-(2-amino-4a-methyl-5,7-dihydro-4H-furo[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The InChIKey is BLONTSRZJTXJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F4N4O4/c1-19-8-31-10-20(19,29-18(26)33-9-19)14-6-12(2-4-15(14)22)28-17(30)16-5-3-13(7-27-16)32-11-21(23,24)25/h2-7H,8-11H2,1H3,(H2,26,29)(H,28,30).
What are the key properties of N-[3-(2-amino-4a-methyl-5,7-dihydro-4H-furo[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
N-[3-(2-amino-4a-methyl-5,7-dihydro-4H-furo[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide has a molecular weight of 468.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-4a-methyl-5,7-dihydro-4H-furo[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 123737721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).