2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone

C17H18FN5O2 — CID 138460311

IUPAC2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(c2ccc(F)cn2)CC1)N1CCOc2ncccc21
InChIInChI=1S/C17H18FN5O2/c18-13-3-4-15(20-12-13)21-6-8-22(9-7-21)17(24)23-10-11-25-16-14(23)2-1-5-19-16/h1-5,12H,6-11H2
InChIKeyKECKYSYWJUBNQJ-UHFFFAOYSA-N
MW343.36 g/mol
LogP1.76
Rot. Bonds1

About 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone

2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 138460311) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID138460311
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC Name2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(c2ccc(F)cn2)CC1)N1CCOc2ncccc21
InChIInChI=1S/C17H18FN5O2/c18-13-3-4-15(20-12-13)21-6-8-22(9-7-21)17(24)23-10-11-25-16-14(23)2-1-5-19-16/h1-5,12H,6-11H2
InChIKeyKECKYSYWJUBNQJ-UHFFFAOYSA-N
XLogP1.76
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone (CID 138460311) is 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone is O=C(N1CCN(c2ccc(F)cn2)CC1)N1CCOc2ncccc21.
What is the InChIKey of 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is KECKYSYWJUBNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2/c18-13-3-4-15(20-12-13)21-6-8-22(9-7-21)17(24)23-10-11-25-16-14(23)2-1-5-19-16/h1-5,12H,6-11H2.
What are the key properties of 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone?
2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 343.36 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 138460311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).