5-[3-(2-amino-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-N-methylpyridine-2-carboxamide

C19H19FN4O3 — CID 53251820

IUPAC5-[3-(2-amino-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc(F)c(C34COCC3COC(N)=N4)c2)cn1
InChIInChI=1S/C19H19FN4O3/c1-22-17(25)16-5-3-12(7-23-16)11-2-4-15(20)14(6-11)19-10-26-8-13(19)9-27-18(21)24-19/h2-7,13H,8-10H2,1H3,(H2,21,24)(H,22,25)
InChIKeyFZWQYJRCJVSWFC-UHFFFAOYSA-N
MW370.38 g/mol
LogP1.43
Rot. Bonds3

About 5-[3-(2-amino-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-N-methylpyridine-2-carboxamide

5-[3-(2-amino-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-N-methylpyridine-2-carboxamide (PubChem CID 53251820) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is 5-[3-(2-amino-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-(2-amino-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-N-methylpyridine-2-carboxamide
PubChem CID53251820
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name5-[3-(2-amino-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc(F)c(C34COCC3COC(N)=N4)c2)cn1
InChIInChI=1S/C19H19FN4O3/c1-22-17(25)16-5-3-12(7-23-16)11-2-4-15(20)14(6-11)19-10-26-8-13(19)9-27-18(21)24-19/h2-7,13H,8-10H2,1H3,(H2,21,24)(H,22,25)
InChIKeyFZWQYJRCJVSWFC-UHFFFAOYSA-N
XLogP1.43
TPSA98.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-amino-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[3-(2-amino-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-N-methylpyridine-2-carboxamide (CID 53251820) is 5-[3-(2-amino-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[3-(2-amino-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[3-(2-amino-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(-c2ccc(F)c(C34COCC3COC(N)=N4)c2)cn1.
What is the InChIKey of 5-[3-(2-amino-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-N-methylpyridine-2-carboxamide?
The InChIKey is FZWQYJRCJVSWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-22-17(25)16-5-3-12(7-23-16)11-2-4-15(20)14(6-11)19-10-26-8-13(19)9-27-18(21)24-19/h2-7,13H,8-10H2,1H3,(H2,21,24)(H,22,25).
What are the key properties of 5-[3-(2-amino-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-N-methylpyridine-2-carboxamide?
5-[3-(2-amino-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-N-methylpyridine-2-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-amino-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 53251820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).