7-pyridin-3-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide

C13H12N4O2 — CID 86305613

IUPAC7-pyridin-3-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESNC(=O)N1CCOc2cc(-c3cccnc3)cnc21
InChIInChI=1S/C13H12N4O2/c14-13(18)17-4-5-19-11-6-10(8-16-12(11)17)9-2-1-3-15-7-9/h1-3,6-8H,4-5H2,(H2,14,18)
InChIKeyXYLHIGRWSJMQCS-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.42
Rot. Bonds1

About 7-pyridin-3-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide

7-pyridin-3-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (PubChem CID 86305613) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 7-pyridin-3-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.

Molecular Properties

Compound Name7-pyridin-3-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
PubChem CID86305613
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name7-pyridin-3-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESNC(=O)N1CCOc2cc(-c3cccnc3)cnc21
InChIInChI=1S/C13H12N4O2/c14-13(18)17-4-5-19-11-6-10(8-16-12(11)17)9-2-1-3-15-7-9/h1-3,6-8H,4-5H2,(H2,14,18)
InChIKeyXYLHIGRWSJMQCS-UHFFFAOYSA-N
XLogP1.42
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-pyridin-3-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The IUPAC name of 7-pyridin-3-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (CID 86305613) is 7-pyridin-3-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.
What is the SMILES notation for 7-pyridin-3-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The canonical SMILES for 7-pyridin-3-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is NC(=O)N1CCOc2cc(-c3cccnc3)cnc21.
What is the InChIKey of 7-pyridin-3-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The InChIKey is XYLHIGRWSJMQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c14-13(18)17-4-5-19-11-6-10(8-16-12(11)17)9-2-1-3-15-7-9/h1-3,6-8H,4-5H2,(H2,14,18).
What are the key properties of 7-pyridin-3-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
7-pyridin-3-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide has a molecular weight of 256.26 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-3-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is sourced from PubChem (CID 86305613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).