tert-butyl 8-(5-methoxycarbonyl-3-pyridinyl)-6-(6-methyl-2-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate

C25H26N4O5 — CID 164546185

IUPACtert-butyl 8-(5-methoxycarbonyl-3-pyridinyl)-6-(6-methyl-2-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate
SMILESCOC(=O)c1cncc(-c2cc(-c3cccc(C)n3)nc3c2OCCN3C(=O)OC(C)(C)C)c1
InChIInChI=1S/C25H26N4O5/c1-15-7-6-8-19(27-15)20-12-18(16-11-17(14-26-13-16)23(30)32-5)21-22(28-20)29(9-10-33-21)24(31)34-25(2,3)4/h6-8,11-14H,9-10H2,1-5H3
InChIKeyPOQBKRMKUOSYRT-UHFFFAOYSA-N
MW462.51 g/mol
LogP4.43
Rot. Bonds3

About tert-butyl 8-(5-methoxycarbonyl-3-pyridinyl)-6-(6-methyl-2-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate

tert-butyl 8-(5-methoxycarbonyl-3-pyridinyl)-6-(6-methyl-2-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate (PubChem CID 164546185) has the molecular formula C25H26N4O5 and a molecular weight of 462.51 g/mol. Its IUPAC name is tert-butyl 8-(5-methoxycarbonyl-3-pyridinyl)-6-(6-methyl-2-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-(5-methoxycarbonyl-3-pyridinyl)-6-(6-methyl-2-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate
PubChem CID164546185
Molecular FormulaC25H26N4O5
Molecular Weight462.51 g/mol
Exact Mass462.19
IUPAC Nametert-butyl 8-(5-methoxycarbonyl-3-pyridinyl)-6-(6-methyl-2-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate
SMILESCOC(=O)c1cncc(-c2cc(-c3cccc(C)n3)nc3c2OCCN3C(=O)OC(C)(C)C)c1
InChIInChI=1S/C25H26N4O5/c1-15-7-6-8-19(27-15)20-12-18(16-11-17(14-26-13-16)23(30)32-5)21-22(28-20)29(9-10-33-21)24(31)34-25(2,3)4/h6-8,11-14H,9-10H2,1-5H3
InChIKeyPOQBKRMKUOSYRT-UHFFFAOYSA-N
XLogP4.43
TPSA103.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-(5-methoxycarbonyl-3-pyridinyl)-6-(6-methyl-2-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate?
The IUPAC name of tert-butyl 8-(5-methoxycarbonyl-3-pyridinyl)-6-(6-methyl-2-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate (CID 164546185) is tert-butyl 8-(5-methoxycarbonyl-3-pyridinyl)-6-(6-methyl-2-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate.
What is the SMILES notation for tert-butyl 8-(5-methoxycarbonyl-3-pyridinyl)-6-(6-methyl-2-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate?
The canonical SMILES for tert-butyl 8-(5-methoxycarbonyl-3-pyridinyl)-6-(6-methyl-2-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate is COC(=O)c1cncc(-c2cc(-c3cccc(C)n3)nc3c2OCCN3C(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl 8-(5-methoxycarbonyl-3-pyridinyl)-6-(6-methyl-2-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate?
The InChIKey is POQBKRMKUOSYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5/c1-15-7-6-8-19(27-15)20-12-18(16-11-17(14-26-13-16)23(30)32-5)21-22(28-20)29(9-10-33-21)24(31)34-25(2,3)4/h6-8,11-14H,9-10H2,1-5H3.
What are the key properties of tert-butyl 8-(5-methoxycarbonyl-3-pyridinyl)-6-(6-methyl-2-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate?
tert-butyl 8-(5-methoxycarbonyl-3-pyridinyl)-6-(6-methyl-2-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate has a molecular weight of 462.51 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-(5-methoxycarbonyl-3-pyridinyl)-6-(6-methyl-2-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate is sourced from PubChem (CID 164546185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).